All Compounds in Database

Record Name Formula Exact Mass InChIKey Proton NMR Carbon NMR
3371 lup-20(29)-en-3,6-dione-27,28-dioic acid lup-20(29)-en-3,6-dione-27,28-dioic acid lup-20(29)-en-3,6-dione-27,28-dioic acid C30H42O6 498.298 InChIKey=CBDYJCSZOXAWEV-PJIMQDOPSA-N No Yes
3372 Maytefolin A Maytefolin A Maytefolin A C30H48O3 456.360 InChIKey=MEWOXIZAAMEXQJ-PSJZRFAZSA-N No Yes
3373 Maytefolin B Maytefolin B Maytefolin B C30H48O3 456.360 InChIKey=PQCMWOGZTLKPKA-FTVLWJDISA-N No Yes
3374 Maytefolin C Maytefolin C Maytefolin C C30H50O2 442.381 InChIKey=QSYDYBFVAWKGOI-BBFSIQRWSA-N No Yes
3375 Uvaol-3-caffeate Uvaol-3-caffeate Uvaol-3-caffeate C39H56O5 604.413 InChIKey=VAVKRHSGFFQRKW-APPDBDSJSA-N No Yes
3376 30-(4'-Hydroxybenzoyloxy)-11b-hydroxylupane-20(29)-en-3-one 30-(4'-Hydroxybenzoyloxy)-11b-hydroxylupane-20(29)-en-3-one 30-(4'-Hydroxybenzoyloxy)-11b-hydroxylupane-20(29)-en-3-one C37H52O5 576.381 InChIKey=WDFWQGCNPVLXKK-DJDCUENXSA-N No Yes
3377 3a-acetoxy-27-hydroxylup-20(29)-en-24-oic acid 3a-acetoxy-27-hydroxylup-20(29)-en-24-oic acid 3a-acetoxy-27-hydroxylup-20(29)-en-24-oic acid C32H50O5 514.366 InChIKey=SFMBHTKBXIQXHJ-LBIUZANVSA-N No Yes
3378 11a-Hydroxy-epi-betulin 11a-Hydroxy-epi-betulin 11a-Hydroxy-epi-betulin C30H50O3 458.376 InChIKey=JHLFBTHILYSMRW-HIZNAZLYSA-N No Yes
3379 6b-Hydroxybetulin 6b-Hydroxybetulin 6b-Hydroxybetulin C30H50O3 458.376 InChIKey=UIMQXVMTMZJGCO-CWSOLWDWSA-N No Yes
3380 24-Hydroxybetulone 24-Hydroxybetulone 24-Hydroxybetulone C30H48O3 456.360 InChIKey=LJCWUZOHKZRSGV-LOUDNMNDSA-N No Yes
3381 Rigidenol-28-aldehyde Rigidenol-28-aldehyde Rigidenol-28-aldehyde C30H46O3 454.345 InChIKey=XYJZRWCTECUSEM-LEUTYMTJSA-N No Yes
3382 28-Hydroxyglochidone 28-Hydroxyglochidone 28-Hydroxyglochidone C30H46O2 438.350 InChIKey=SWXIPZXTCYKJSD-CNRMHUMKSA-N No Yes
3383 3b,6b-Dihydroxylup-20(29)-ene 3b,6b-Dihydroxylup-20(29)-ene 3b,6b-Dihydroxylup-20(29)-ene C30H50O2 442.381 InChIKey=DSXMIKAVZFWLFV-CWSOLWDWSA-N No Yes
3384 6b,30-dihydroxy-3-oxolup-20(29)-en-28-oic acid 6b,30-dihydroxy-3-oxolup-20(29)-en-28-oic acid 6b,30-dihydroxy-3-oxolup-20(29)-en-28-oic acid C30H46O5 486.335 InChIKey=KLNFSIALEXSFON-ZZZYEPHESA-N No Yes
3385 3a-hydroxy-11-oxoolean-12-en-28-oic acid 3a-hydroxy-11-oxoolean-12-en-28-oic acid 3a-hydroxy-11-oxoolean-12-en-28-oic acid C30H46O4 470.340 InChIKey=ILTQYWVUOPDTOL-TWLCDQMJSA-N No Yes
3386 3,11-dioxoolean-12-en-28-oic acid 3,11-dioxoolean-12-en-28-oic acid 3,11-dioxoolean-12-en-28-oic acid C30H44O4 468.324 InChIKey=VDDPQVQCXWFZJM-WTRJLLKISA-N No Yes
3387 (3β,22E)-6-Oxostigmast-22-en-3-yl acetate (3β,22E)-6-Oxostigmast-22-en-3-yl acetate (3β,22E)-6-Oxostigmast-22-en-3-yl acetate C31H50O3 470.376 InChIKey=ONHPTEVGGAKUAY-IPEILNDQSA-N No Yes
3401 3beta,5alpha-Dihydroxystigmastan-6-one 3beta,5alpha-Dihydroxystigmastan-6-one 3beta,5alpha-Dihydroxystigmastan-6-one C29H50O3 446.376 InChIKey=PMNNRRLMGLZYLF-MFYVJPBSSA-N No Yes
3402 C29H51N1O3 461.387 InChIKey=PPZXVIAEMTURRA-URSFPZMHSA-N No Yes
3403 5alpha-Hydroxystigmastane-3,6-dione 5alpha-Hydroxystigmastane-3,6-dione 5alpha-Hydroxystigmastane-3,6-dione C29H48O3 444.360 InChIKey=KGBZCIQSCKWBEJ-LLTLHDIDSA-N No Yes
3404 (5α,6E)-5-Hydroxy-6-(hydroxyimino)stigmastan-3-one (5α,6E)-5-Hydroxy-6-(hydroxyimino)stigmastan-3-one (5α,6E)-5-Hydroxy-6-(hydroxyimino)stigmastan-3-one C29H49N1O3 459.371 InChIKey=CGYPDDDLDCLDOK-VVYPQOISSA-N No Yes
3405 3beta,5beta-Dihydroxystigmastane-6-one 3beta,5beta-Dihydroxystigmastane-6-one 3beta,5beta-Dihydroxystigmastane-6-one C29H50O3 446.376 InChIKey=PMNNRRLMGLZYLF-NDDUEHJASA-N No Yes
3406 C29H51N1O3 461.387 InChIKey=PPZXVIAEMTURRA-YIXQJTIJSA-N No Yes
3407 5beta-Hydroxystigmastane-3,6-dione 5beta-Hydroxystigmastane-3,6-dione 5beta-Hydroxystigmastane-3,6-dione C29H48O3 444.360 InChIKey=KGBZCIQSCKWBEJ-NFVQQQKOSA-N No Yes
3408 (5α,6E)-5-Hydroxy-6-(hydroxyimino)stigmastan-3-one (5α,6E)-5-Hydroxy-6-(hydroxyimino)stigmastan-3-one (5α,6E)-5-Hydroxy-6-(hydroxyimino)stigmastan-3-one C29H49N1O3 459.371 InChIKey=CGYPDDDLDCLDOK-QHFNTCIKSA-N No Yes
3409 Stigmast-4-ene-3,6-dione Stigmast-4-ene-3,6-dione Stigmast-4-ene-3,6-dione C29H46O2 426.350 InChIKey=UVFOCYGYACXLAY-ZDQUCUCBSA-N No Yes
3410 (6E)-6-(Hydroxyimino)stigmast-4-en-3-one (6E)-6-(Hydroxyimino)stigmast-4-en-3-one (6E)-6-(Hydroxyimino)stigmast-4-en-3-one C29H47N1O2 441.361 InChIKey=RBDMVPLHNUYCLZ-ZORUVLOBSA-N No Yes
3411 ursoxy acid ursoxy acid ursoxy acid C31H48O4 484.355 InChIKey=AWNJFQYALWSXQG-YJDSAHDLSA-N No Yes
3412 methyl ursoxylate methyl ursoxylate methyl ursoxylate C32H50O4 498.371 InChIKey=WUGXYWHSXSFWRW-ARUKVAMGSA-N No Yes
3413 ursangilic acid ursangilic acid ursangilic acid C37H56O6 596.408 InChIKey=PYAIEKYBXOLIIX-MNCZCIIKSA-N No Yes
3414 chinenols A chinenols A chinenols A C29H42O6 486.298 InChIKey=GHRQIBWIWKHOMI-LMNIETLWSA-N No Yes
3415 chinenols B chinenols B chinenols B C29H42O7 502.293 InChIKey=QHUITOSJPIXNBH-LYOLCXSXSA-N No Yes
3416 chinenols C chinenols C chinenols C C29H42O7 502.293 InChIKey=AHXPXQSETZWSNZ-VWJPVILASA-N No Yes
3417 Epikatonic acid Epikatonic acid Epikatonic acid C30H48O3 456.360 InChIKey=JZFSMVXQUWRSIW-FWXFQHTDSA-N No Yes
3418 22-Epi-maytenfolic acid 22-Epi-maytenfolic acid 22-Epi-maytenfolic acid C30H48O4 472.355 InChIKey=JTBGJQZJEYVBJZ-FVRJYRSZSA-N No Yes
3419 28-benzyloleonolic acid 28-benzyloleonolic acid 28-benzyloleonolic acid C37H54O3 546.407 InChIKey=BXPBVHNXTDZAAM-GBVPUKILSA-N No Yes
3420 Benzyl 2a,3a-dihydroxyolean-12-en-28-oate Benzyl 2a,3a-dihydroxyolean-12-en-28-oate Benzyl 2a,3a-dihydroxyolean-12-en-28-oate C37H54O4 562.402 InChIKey=VCQDNEMHUASJMM-HQGANAIGSA-N No Yes
3421 Benzyl 3b-hydroxyurs-12-en-28-oate Benzyl 3b-hydroxyurs-12-en-28-oate Benzyl 3b-hydroxyurs-12-en-28-oate C37H54O3 546.407 InChIKey=FUFAPKOCRZYSHH-NGVJTKDKSA-N No Yes
3422 20-epi-katonic acid 20-epi-katonic acid 20-epi-katonic acid C30H48O3 456.360 InChIKey=JZFSMVXQUWRSIW-XNNVWKIISA-N No Yes
3423 20-epi-katonic acid methyl esther 20-epi-katonic acid methyl esther 20-epi-katonic acid methyl esther C31H50O3 470.376 InChIKey=APODVSVTRILENH-RCFBLKMQSA-N No Yes
3424 (13alpha,17alpha)-1alpha,3alpha,7alpha-Triacetoxy-4,4,8-trimethyl-21,23-epoxy-24-nor-5alpha-chola-14,20,22-triene (13alpha,17alpha)-1alpha,3alpha,7alpha-Triacetoxy-4,4,8-trimethyl-21,23-epoxy-24-nor-5alpha-chola-14,20,22-triene (13alpha,17alpha)-1alpha,3alpha,7alpha-Triacetoxy-4,4,8-trimethyl-21,23-epoxy-24-nor-5alpha-chola-14,20,22-triene C32H44O7 540.309 InChIKey=JFZWEEGAFRZPEY-TXQBVQDDSA-N No Yes
3425 Deoxyhavanensin 3,7-diacetate Deoxyhavanensin 3,7-diacetate Deoxyhavanensin 3,7-diacetate C30H42O6 498.298 InChIKey=OXOVAPOLRMAKPX-SKYDTIMPSA-N No Yes
3426 (13alpha,17R)-21,23-Epoxy-4,4,8-trimethyl-24-nor-5alpha-chola-14,20,22-triene-1alpha,3alpha,7alpha-triol 1,7-diacetate (13alpha,17R)-21,23-Epoxy-4,4,8-trimethyl-24-nor-5alpha-chola-14,20,22-triene-1alpha,3alpha,7alpha-triol 1,7-diacetate (13alpha,17R)-21,23-Epoxy-4,4,8-trimethyl-24-nor-5alpha-chola-14,20,22-triene-1alpha,3alpha,7alpha-triol 1,7-diacetate C30H42O6 498.298 InChIKey=XZSOANLYLXCHQM-MOBHZLNTSA-N No Yes
3427 (1α,3α,5α,7α,13α,17α)-17-(3-Furyl)-1,3-dihydroxy-4,4,8-trimethylandrost-14-en-7-yl acetate (1α,3α,5α,7α,13α,17α)-17-(3-Furyl)-1,3-dihydroxy-4,4,8-trimethylandrost-14-en-7-yl acetate (1α,3α,5α,7α,13α,17α)-17-(3-Furyl)-1,3-dihydroxy-4,4,8-trimethylandrost-14-en-7-yl acetate C28H40O5 456.288 InChIKey=SGSKYBFWMRAWOM-KPVLGALESA-N No Yes
3428 (1α,3α,5α,7α,13α,17α)-17-(3-Furyl)-4,4,8-trimethylandrost-14-ene-1,3,7-triol (1α,3α,5α,7α,13α,17α)-17-(3-Furyl)-4,4,8-trimethylandrost-14-ene-1,3,7-triol (1α,3α,5α,7α,13α,17α)-17-(3-Furyl)-4,4,8-trimethylandrost-14-ene-1,3,7-triol C26H38O4 414.277 InChIKey=HEPXFFZSRWVRSA-VRRZSFKOSA-N No Yes
3429 C30H40O6 496.282 InChIKey=YNLJMEXIFXPJAS-NBJNSXDLSA-N No Yes
3430 (13alpha,17R)-21,23-Epoxy-4,4,8-trimethyl-3-oxo-24-nor-5alpha-chola-14,20,22-triene-1alpha,7alpha-diol diacetate (13alpha,17R)-21,23-Epoxy-4,4,8-trimethyl-3-oxo-24-nor-5alpha-chola-14,20,22-triene-1alpha,7alpha-diol diacetate (13alpha,17R)-21,23-Epoxy-4,4,8-trimethyl-3-oxo-24-nor-5alpha-chola-14,20,22-triene-1alpha,7alpha-diol diacetate C30H40O6 496.282 InChIKey=KNDGFODNXFMNLQ-LSBSXRPYSA-N No Yes
3431 Azadirone Azadirone Azadirone C28H36O4 436.261 InChIKey=XXIKKMLIDXLAIK-RFKFVWFBSA-N No Yes
3432 7-Deacetylazadirone 7-Deacetylazadirone 7-Deacetylazadirone C26H34O3 394.251 InChIKey=CKDPEAINBFYEHJ-JDGKMSDRSA-N No Yes
3433 (13alpha,17alpha)-4,4,8-Trimethyl-21,23-epoxy-24-nor-5alpha-chola-1,14,20,22-tetrene-3,7-dione (13alpha,17alpha)-4,4,8-Trimethyl-21,23-epoxy-24-nor-5alpha-chola-1,14,20,22-tetrene-3,7-dione (13alpha,17alpha)-4,4,8-Trimethyl-21,23-epoxy-24-nor-5alpha-chola-1,14,20,22-tetrene-3,7-dione C26H32O3 392.235 InChIKey=KTOHAVPEOUSSID-BXXAXWLSSA-N No Yes