All Compounds in Database

Record Name Formula Exact Mass InChIKey Proton NMR Carbon NMR
19376 Gouanic acid B Gouanic acid B Gouanic acid B C29H42O5 470.303 InChIKey=YWHFOZBOULBASE-WNPXDVAASA-N No Yes
19377 12-Ethoxynimbolinin A 12-Ethoxynimbolinin A 12-Ethoxynimbolinin A C34H46O9 598.314 InChIKey=CVIGGJLTDXXNEX-XGOAXVTGSA-N No Yes
19378 12-Ethoxynimbolinin B 12-Ethoxynimbolinin B 12-Ethoxynimbolinin B C39H48O9 660.330 InChIKey=FZGSUBLWWNCYEU-GHCQBJFOSA-N No Yes
19379 12-Ethoxynimbolinin C 12-Ethoxynimbolinin C 12-Ethoxynimbolinin C C33H46O8 570.319 InChIKey=RBDLKNGZMWJUCW-YWVCHWAISA-N No Yes
19380 12-Ethoxynimbolinin D 12-Ethoxynimbolinin D 12-Ethoxynimbolinin D C35H44O8 592.304 InChIKey=FNDAVUATEAXIRC-PYYWHYOHSA-N No Yes
19381 2α-Hydroxy-3β-O-acetyllup-20(29)-en-28-oic acid 2α-Hydroxy-3β-O-acetyllup-20(29)-en-28-oic acid 2α-Hydroxy-3β-O-acetyllup-20(29)-en-28-oic acid C32H50O5 514.366 InChIKey=TZZHURFSCIIOSG-GWZUELQKSA-N No Yes
19382 3-O-(4′-O-Acetyl)-α-L-arabinopyranosyloleanolic acid 3-O-(4′-O-Acetyl)-α-L-arabinopyranosyloleanolic acid 3-O-(4′-O-Acetyl)-α-L-arabinopyranosyloleanolic acid C37H58O8 630.413 InChIKey=KHUCEDBSGNUTIL-AVHMAWMISA-N No Yes
19383 24,25-Epoxy-3-oxotirucalla-8-ene-6beta,23-diol 24,25-Epoxy-3-oxotirucalla-8-ene-6beta,23-diol 24,25-Epoxy-3-oxotirucalla-8-ene-6beta,23-diol C30H48O4 472.355 InChIKey=RLYRIXWFLVRXIA-OFXKBLDHSA-N No Yes
19384 Simaroubin A Simaroubin A Simaroubin A C30H40O5 480.288 InChIKey=WRDPMAXDUGMBAE-PCJLCNEBSA-N No Yes
19385 Simaroubin B Simaroubin B Simaroubin B C37H48O9 636.330 InChIKey=DPNJIAGNFYONGX-PADMDVRNSA-N No Yes
19386 Simaroubins C Simaroubins C Simaroubins C C34H46O9 598.314 InChIKey=NWOGYGDHFHDTKJ-BGUXRRQNSA-N No Yes
19387 Simaroubins D Simaroubins D Simaroubins D C34H46O9 598.314 InChIKey=FOXHMXWSLKJAME-UPLUQIOGSA-N No Yes
19388 Simaroubin E Simaroubin E Simaroubin E C22H30O3 342.219 InChIKey=UQTDTFGCPOVWBK-CSXWMVMESA-N No Yes
19389 Sapinmusaponin F Sapinmusaponin F Sapinmusaponin F C43H70O12 778.487 InChIKey=JCXTUBDLXJSOQG-SHAQMKDESA-N No Yes
19390 Sapinmusaponin G Sapinmusaponin G Sapinmusaponin G C43H70O12 778.487 InChIKey=JCXTUBDLXJSOQG-BEDXFVBKSA-N No Yes
19391 Sapinmusaponin H Sapinmusaponin H Sapinmusaponin H C43H70O12 778.487 InChIKey=QABIGJHPRPUDJG-JGVJPURZSA-N No Yes
19392 Sapinmusaponin I Sapinmusaponin I Sapinmusaponin I C49H80O16 924.545 InChIKey=ZAIDBNLLZLYWGI-CTGJJWJBSA-N No Yes
19393 Sapinmusaponin J Sapinmusaponin J Sapinmusaponin J C49H80O16 924.545 InChIKey=ZAIDBNLLZLYWGI-SOVLXNOCSA-N No Yes
19394 alpha-Elemolic acid methyl ester alpha-Elemolic acid methyl ester alpha-Elemolic acid methyl ester C31H50O3 470.376 InChIKey=DZGFGFULCQNZTI-ZOCRTITISA-N No Yes
19395 methyl 3a,24S-dihydroxytirucalla-8,25-dien-21-oate methyl 3a,24S-dihydroxytirucalla-8,25-dien-21-oate methyl 3a,24S-dihydroxytirucalla-8,25-dien-21-oate C31H50O4 486.371 InChIKey=DMBACTHBBJOGIN-DVFSKWCBSA-N No Yes
19396 3alpha-Acetoxy-24-oxotirucalla-8,25-diene-21-oic acid methyl ester 3alpha-Acetoxy-24-oxotirucalla-8,25-diene-21-oic acid methyl ester 3alpha-Acetoxy-24-oxotirucalla-8,25-diene-21-oic acid methyl ester C33H50O5 526.366 InChIKey=DMKOLACWGPRQEG-CQGVWWTNSA-N No Yes
19397 methyl 3a-hydroxy-25,26,27-trinor-24-oxotirucall-8-en-21-oate methyl 3a-hydroxy-25,26,27-trinor-24-oxotirucall-8-en-21-oate methyl 3a-hydroxy-25,26,27-trinor-24-oxotirucall-8-en-21-oate C30H46O5 486.335 InChIKey=HYKPPFRGVDNZNC-IMJUUJEHSA-N No Yes
19398 3alpha,25-Dihydroxy-24-(2-hydroxyethyl)tirucalla-8-ene-21-oic acid 3alpha,25-Dihydroxy-24-(2-hydroxyethyl)tirucalla-8-ene-21-oic acid 3alpha,25-Dihydroxy-24-(2-hydroxyethyl)tirucalla-8-ene-21-oic acid C32H54O5 518.397 InChIKey=NXQZDWWJEWCQPT-LNSILQRZSA-N No Yes
19399 (24S)-3alpha,24,25-Trihydroxytirucalla-8-ene-21-oic acid (24S)-3alpha,24,25-Trihydroxytirucalla-8-ene-21-oic acid (24S)-3alpha,24,25-Trihydroxytirucalla-8-ene-21-oic acid C30H50O5 490.366 InChIKey=TUEMBEZTCGUGMB-AJYJWUHQSA-N No Yes
19400 (24R)-3alpha,24,25-Trihydroxytirucalla-8-ene-21-oic acid (24R)-3alpha,24,25-Trihydroxytirucalla-8-ene-21-oic acid (24R)-3alpha,24,25-Trihydroxytirucalla-8-ene-21-oic acid C30H50O5 490.366 InChIKey=TUEMBEZTCGUGMB-CRYRWKDCSA-N No Yes
19401 3alpha,25-Dihydroxytirucalla-8-ene-21-oic acid 3alpha,25-Dihydroxytirucalla-8-ene-21-oic acid 3alpha,25-Dihydroxytirucalla-8-ene-21-oic acid C30H50O4 474.371 InChIKey=OXLMQAKCNSYPEG-OFOIOPPSSA-N No Yes
19402 3alpha,25-Dihydroxytirucalla-8-ene-21-oic acid methyl ester 3alpha,25-Dihydroxytirucalla-8-ene-21-oic acid methyl ester 3alpha,25-Dihydroxytirucalla-8-ene-21-oic acid methyl ester C31H52O4 488.387 InChIKey=ZRXAGZWWRWAQRP-GNUYNUDXSA-N No Yes
19403 Sapimukoside E Sapimukoside E Sapimukoside E C54H88O20 1056.587 InChIKey=LXIZCUWZTRHPNW-QNVDXHCTSA-N No Yes
19404 Sapimukoside F Sapimukoside F Sapimukoside F C54H88O20 1056.587 InChIKey=LXIZCUWZTRHPNW-FNDXEUTKSA-N No Yes
19405 sapimukoside G sapimukoside G sapimukoside G C53H86O20 1042.571 InChIKey=MXFUWJQZQGWIOY-FETLVNPKSA-N No Yes
19406 Sapimukoside H Sapimukoside H Sapimukoside H C55H90O20 1070.603 InChIKey=DFPAGEXHKVXDKM-XDJOSNRTSA-N No Yes
19407 sapimukoside I sapimukoside I sapimukoside I C54H88O20 1056.587 InChIKey=TVDBDONOCYLDQG-RCMGNAOUSA-N No Yes
19409 (3α,7α,13α,17α,20S,21R,23R,24S)-7,24,25-Trihydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate (3α,7α,13α,17α,20S,21R,23R,24S)-7,24,25-Trihydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate (3α,7α,13α,17α,20S,21R,23R,24S)-7,24,25-Trihydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate C36H58O7 602.418 InChIKey=BNVNSWMSEIZYOU-WJOOOHSESA-N No Yes
19410 (3α,7α,13α,17α,20S,21S,23R,24S)-7,24,25-Trihydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate (3α,7α,13α,17α,20S,21S,23R,24S)-7,24,25-Trihydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate (3α,7α,13α,17α,20S,21S,23R,24S)-7,24,25-Trihydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate C36H58O7 602.418 InChIKey=BNVNSWMSEIZYOU-SEHHVAQZSA-N No Yes
19411 (3β,7α,13α,17α,20S,21R,23R,24R)-7,24,25-Trihydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate (3β,7α,13α,17α,20S,21R,23R,24R)-7,24,25-Trihydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate (3β,7α,13α,17α,20S,21R,23R,24R)-7,24,25-Trihydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate C36H58O7 602.418 InChIKey=BNVNSWMSEIZYOU-HFIQULOYSA-N No Yes
19412 (3α,7α,13α,17α,20S,21R,23R,24S)-7,24,25-Trihydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methylbutanoate (3α,7α,13α,17α,20S,21R,23R,24S)-7,24,25-Trihydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methylbutanoate (3α,7α,13α,17α,20S,21R,23R,24S)-7,24,25-Trihydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methylbutanoate C36H60O7 604.434 InChIKey=YUOHVPKPBAEEQI-WJOOOHSESA-N No Yes
19413 (3α,7α,13α,17α,20S,21S,23R,24S)-7,24,25-Trihydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methylbutanoate (3α,7α,13α,17α,20S,21S,23R,24S)-7,24,25-Trihydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methylbutanoate (3α,7α,13α,17α,20S,21S,23R,24S)-7,24,25-Trihydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methylbutanoate C36H60O7 604.434 InChIKey=YUOHVPKPBAEEQI-SEHHVAQZSA-N No Yes
19414 (3β,7α,13α,17α,20S,21S,23R,24R)-7,24,25-Trihydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methylbutanoate (3β,7α,13α,17α,20S,21S,23R,24R)-7,24,25-Trihydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methylbutanoate (3β,7α,13α,17α,20S,21S,23R,24R)-7,24,25-Trihydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methylbutanoate C36H60O7 604.434 InChIKey=YUOHVPKPBAEEQI-UFWDQIMCSA-N No Yes
19415 (3α,7α,13α,17α,20S,21R,23R,24S)-7,24-Dihydroxy-21,25-dimethoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate (3α,7α,13α,17α,20S,21R,23R,24S)-7,24-Dihydroxy-21,25-dimethoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate (3α,7α,13α,17α,20S,21R,23R,24S)-7,24-Dihydroxy-21,25-dimethoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate C37H60O7 616.434 InChIKey=JUEKOSOQMCJFER-PAGYNASHSA-N No Yes
19416 (3α,7α,13α,17α,20S,21S,23R,24R)-7,24-Dihydroxy-21,25-dimethoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate (3α,7α,13α,17α,20S,21S,23R,24R)-7,24-Dihydroxy-21,25-dimethoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate (3α,7α,13α,17α,20S,21S,23R,24R)-7,24-Dihydroxy-21,25-dimethoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate C37H60O7 616.434 InChIKey=JUEKOSOQMCJFER-RAIWVPEGSA-N No Yes
19417 (3β,7α,13α,17α,20S,21R,23R,24R)-7,24-Dihydroxy-21,25-dimethoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate (3β,7α,13α,17α,20S,21R,23R,24R)-7,24-Dihydroxy-21,25-dimethoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate (3β,7α,13α,17α,20S,21R,23R,24R)-7,24-Dihydroxy-21,25-dimethoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate C37H60O7 616.434 InChIKey=JUEKOSOQMCJFER-SNLNFSKTSA-N No Yes
19418 (3α,7α,13α,17α,20S,21S,23R,24S)-7,24,25,26-Tetrahydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate (3α,7α,13α,17α,20S,21S,23R,24S)-7,24,25,26-Tetrahydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate (3α,7α,13α,17α,20S,21S,23R,24S)-7,24,25,26-Tetrahydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate C36H58O8 618.413 InChIKey=HJLXIEMILCSVEY-RAKKBATRSA-N No Yes
19419 (3β,7α,13α,17α,20S,21R,23R,24R)-7,24,25,26-Tetrahydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate (3β,7α,13α,17α,20S,21R,23R,24R)-7,24,25,26-Tetrahydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate (3β,7α,13α,17α,20S,21R,23R,24R)-7,24,25,26-Tetrahydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate C36H58O8 618.413 InChIKey=HJLXIEMILCSVEY-XFYDYYARSA-N No Yes
19420 (3β,7α,13α,17α,20S,21S,23R,24S,25R)-7,24,25,26-Tetrahydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate (3β,7α,13α,17α,20S,21S,23R,24S,25R)-7,24,25,26-Tetrahydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate (3β,7α,13α,17α,20S,21S,23R,24S,25R)-7,24,25,26-Tetrahydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate C36H58O8 618.413 InChIKey=HJLXIEMILCSVEY-FJRAZPLXSA-N No Yes
19421 (3α,7α,13α,17α,20S,21S,23R,24S)-7,24,25,26-Tetrahydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methylbutanoate (3α,7α,13α,17α,20S,21S,23R,24S)-7,24,25,26-Tetrahydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methylbutanoate (3α,7α,13α,17α,20S,21S,23R,24S)-7,24,25,26-Tetrahydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methylbutanoate C36H60O8 620.429 InChIKey=GSLZTOKNJMDUMN-RAKKBATRSA-N No Yes
19422 (3α,7α,13α,17α,20S,21R,23R,24R)-7,24,26-Trihydroxy-21,25-dimethoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate (3α,7α,13α,17α,20S,21R,23R,24R)-7,24,26-Trihydroxy-21,25-dimethoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate (3α,7α,13α,17α,20S,21R,23R,24R)-7,24,26-Trihydroxy-21,25-dimethoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate C37H60O8 632.429 InChIKey=CPTHHUMNHVBJMW-HCLMRCSASA-N No Yes
19423 (3α,7α,13α,17α,20S,21S,23R,24R)-7,24,26-Trihydroxy-21,25-dimethoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate (3α,7α,13α,17α,20S,21S,23R,24R)-7,24,26-Trihydroxy-21,25-dimethoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate (3α,7α,13α,17α,20S,21S,23R,24R)-7,24,26-Trihydroxy-21,25-dimethoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate C37H60O8 632.429 InChIKey=CPTHHUMNHVBJMW-BZEIBULISA-N No Yes
19424 (3β,7α,13α,17α,20S,21R,23R,24R)-7,24,26-Trihydroxy-21,25-dimethoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate (3β,7α,13α,17α,20S,21R,23R,24R)-7,24,26-Trihydroxy-21,25-dimethoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate (3β,7α,13α,17α,20S,21R,23R,24R)-7,24,26-Trihydroxy-21,25-dimethoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methyl-2-butenoate C37H60O8 632.429 InChIKey=CPTHHUMNHVBJMW-UVFDVPMUSA-N No Yes
19425 (3α,7α,13α,17α,20S,21R,23R,24R)-7,24,26-Trihydroxy-21,25-dimethoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methylbutanoate (3α,7α,13α,17α,20S,21R,23R,24R)-7,24,26-Trihydroxy-21,25-dimethoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methylbutanoate (3α,7α,13α,17α,20S,21R,23R,24R)-7,24,26-Trihydroxy-21,25-dimethoxy-21,23-epoxy-13,30-cyclodammaran-3-yl 3-methylbutanoate C37H62O8 634.444 InChIKey=BEZYUJKWEKDPAC-HCLMRCSASA-N No Yes
19426 (3α,7α,13α,17α,20S,21R,23R,24S)-7,24-Dihydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammar-25-en-3-yl 3-methyl-2-butenoate (3α,7α,13α,17α,20S,21R,23R,24S)-7,24-Dihydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammar-25-en-3-yl 3-methyl-2-butenoate (3α,7α,13α,17α,20S,21R,23R,24S)-7,24-Dihydroxy-21-methoxy-21,23-epoxy-13,30-cyclodammar-25-en-3-yl 3-methyl-2-butenoate C36H56O6 584.408 InChIKey=VPWHAUFGDJELAT-KYUMGRRTSA-N No Yes