All Compounds in Database

Record Name Formula Exact Mass InChIKey Proton NMR Carbon NMR
3434 isoazadironolide isoazadironolide isoazadironolide C28H36O6 468.251 InChIKey=GFVCOFUDIRKTHA-VRVDQBCCSA-N No Yes
3435 1a,3a,7a-triacetoxy-21-hydroxy-24,25,26,27-tetranor-apotirucalla-14,20(22)-dien-23,21-olide 1a,3a,7a-triacetoxy-21-hydroxy-24,25,26,27-tetranor-apotirucalla-14,20(22)-dien-23,21-olide 1a,3a,7a-triacetoxy-21-hydroxy-24,25,26,27-tetranor-apotirucalla-14,20(22)-dien-23,21-olide C32H44O9 572.299 InChIKey=MDQUFNTVPFAZDI-MEZLHGDWSA-N No Yes
3436 (1α,3α,5α,7α,13α,17α)-17-(5-Hydroxy-2-oxo-2,5-dihydro-3-furanyl)-4,4,8-trimethylandrost-14-ene-1,3,7-triyl triacetate (1α,3α,5α,7α,13α,17α)-17-(5-Hydroxy-2-oxo-2,5-dihydro-3-furanyl)-4,4,8-trimethylandrost-14-ene-1,3,7-triyl triacetate (1α,3α,5α,7α,13α,17α)-17-(5-Hydroxy-2-oxo-2,5-dihydro-3-furanyl)-4,4,8-trimethylandrost-14-ene-1,3,7-triyl triacetate C32H44O9 572.299 InChIKey=XQSFCQMTXZDUII-YXVMAUNXSA-N No Yes
3437 (1α,3α,5α,7α,13α,17α)-17-(5-Hydroxy-2-oxo-2,5-dihydro-3-furanyl)-4,4,8-trimethylandrost-14-ene-1,3,7-triyl triacetate (1α,3α,5α,7α,13α,17α)-17-(5-Hydroxy-2-oxo-2,5-dihydro-3-furanyl)-4,4,8-trimethylandrost-14-ene-1,3,7-triyl triacetate (1α,3α,5α,7α,13α,17α)-17-(5-Hydroxy-2-oxo-2,5-dihydro-3-furanyl)-4,4,8-trimethylandrost-14-ene-1,3,7-triyl triacetate C32H44O9 572.299 InChIKey=XQSFCQMTXZDUII-VZNWMQMMSA-N No Yes
3438 3,7-di-O-acetyl-14,15-deoxyhavanensin 3,7-di-O-acetyl-14,15-deoxyhavanensin 3,7-di-O-acetyl-14,15-deoxyhavanensin C32H44O8 556.304 InChIKey=VMWXGZIVWHPTMZ-FKGSKRNKSA-N No Yes
3439 3a-Acetyl-20(29)-lupene-24-oic acid 3a-Acetyl-20(29)-lupene-24-oic acid 3a-Acetyl-20(29)-lupene-24-oic acid C32H50O4 498.371 InChIKey=DULLEXJVWYWBKQ-AOHRAIGUSA-N No Yes
3440 (3β,9β)-23-Oxo-9,19-cyclolanost-24-ene-3,28-diyl bis(hydrogen sulfate) (3β,9β)-23-Oxo-9,19-cyclolanost-24-ene-3,28-diyl bis(hydrogen sulfate) (3β,9β)-23-Oxo-9,19-cyclolanost-24-ene-3,28-diyl bis(hydrogen sulfate) C30H48O9S2 616.274 InChIKey=GQPWURSJMXLUAW-PAEBMLBLSA-N No Yes
3441 (3β,9β)-23-Oxo-9,19-cyclolanostane-3,28-diyl bis(hydrogen sulfate) (3β,9β)-23-Oxo-9,19-cyclolanostane-3,28-diyl bis(hydrogen sulfate) (3β,9β)-23-Oxo-9,19-cyclolanostane-3,28-diyl bis(hydrogen sulfate) C30H50O9S2 618.290 InChIKey=PUDVSKBDQKPJFV-PAEBMLBLSA-N No Yes
3442 (+)-pinicolic acid A (+)-pinicolic acid A (+)-pinicolic acid A C30H46O3 454.345 InChIKey=XLPAINGDLCDYQV-VOMXGJAFSA-N No Yes
3443 21-Hydroxylanosta-8,24-dien-3-one 21-Hydroxylanosta-8,24-dien-3-one 21-Hydroxylanosta-8,24-dien-3-one C30H48O2 440.365 InChIKey=OEQYASIYRZNOIT-KTKIDDBTSA-N No Yes
3444 21-Hydroxylanosta-7,9(11),24-trien-3-one 21-Hydroxylanosta-7,9(11),24-trien-3-one 21-Hydroxylanosta-7,9(11),24-trien-3-one C30H46O2 438.350 InChIKey=FQQMLVSIEXRTOS-KTKIDDBTSA-N No Yes
3445 Lanosta-7,9(11),24-triene-3beta,21-diol Lanosta-7,9(11),24-triene-3beta,21-diol Lanosta-7,9(11),24-triene-3beta,21-diol C30H48O2 440.365 InChIKey=SZIOXIYBQOPKLK-ILLHTMCHSA-N No Yes
3446 Tsugaric acid A Tsugaric acid A Tsugaric acid A C32H50O4 498.371 InChIKey=FIWGZIBLJWZUEA-CAHOJKFZSA-N No Yes
3447 fomitopsic acid B fomitopsic acid B fomitopsic acid B C33H48O5 524.350 InChIKey=SXYOHWHWZQDZED-YAIYFESBSA-N No Yes
3448 agnosterone agnosterone agnosterone C30H46O1 422.355 InChIKey=XKYJBQWATZUMSB-WUELKCQHSA-N No Yes
3449 pinicolol B pinicolol B pinicolol B C30H48O3 456.360 InChIKey=SYYMLPJRZHTLKJ-LNISQLTRSA-N No Yes
3450 pinicolic acid B pinicolic acid B pinicolic acid B C30H44O4 468.324 InChIKey=RWQINIOQZXZDGZ-JLPRQSABSA-N No Yes
3451 pinicolic acid C pinicolic acid C pinicolic acid C C30H46O4 470.340 InChIKey=ZOQINMSKLIQAKX-XMWXQHOCSA-N No Yes
3452 (-)-3b-hydroxy-16-oxolanosta-7,9(11),24-trien-21-oic acid (-)-3b-hydroxy-16-oxolanosta-7,9(11),24-trien-21-oic acid (-)-3b-hydroxy-16-oxolanosta-7,9(11),24-trien-21-oic acid C30H44O4 468.324 InChIKey=ZILGTWWGYWOZLX-YJAYWBJASA-N No Yes
3453 polyporenic acid C polyporenic acid C polyporenic acid C C31H46O4 482.340 InChIKey=KPKYWYZPIVAHKU-WMNQUVFJSA-N No Yes
3454 16alpha-hydroxyeburiconic acid 16alpha-hydroxyeburiconic acid 16alpha-hydroxyeburiconic acid C31H48O4 484.355 InChIKey=MUTPNNQAZRJDSK-WMNQUVFJSA-N No Yes
3455 16-O-acetylpolyporenic acid C 16-O-acetylpolyporenic acid C 16-O-acetylpolyporenic acid C C33H48O5 524.350 InChIKey=FPLFOXNTFUNRIC-SJXZRTDNSA-N No Yes
3456 3-Oxo-16alpha-acetoxy-24-methylene-5alpha-lanost-8-en-21-oic acid 3-Oxo-16alpha-acetoxy-24-methylene-5alpha-lanost-8-en-21-oic acid 3-Oxo-16alpha-acetoxy-24-methylene-5alpha-lanost-8-en-21-oic acid C33H50O5 526.366 InChIKey=PGBDADPMOWDBTQ-SJXZRTDNSA-N No Yes
3457 3a-carboxyacetoxyquercinic acid 3a-carboxyacetoxyquercinic acid 3a-carboxyacetoxyquercinic acid C34H52O7 572.371 InChIKey=WWJFQSXVIHXIBB-XUPAHRBUSA-N No Yes
3458 ergosterol peroxide ergosterol peroxide ergosterol peroxide C28H44O3 428.329 InChIKey=VXOZCESVZIRHCJ-KGHQQZOUSA-N No Yes
3459 quercinic acid B quercinic acid B quercinic acid B C31H46O4 482.340 InChIKey=GHDRSYXGPSCEMR-WGUXTVTPSA-N No Yes
3460 quercinic acid C quercinic acid C quercinic acid C C31H50O5 502.366 InChIKey=UREYGWKJWUPQSC-YBOLZYJCSA-N No Yes
3461 3a-oxepanoquercinic acid C 3a-oxepanoquercinic acid C 3a-oxepanoquercinic acid C C31H50O5 502.366 InChIKey=PEJVRURWUPBFOY-KLBYFCBYSA-N No Yes
3462 24,31-Didehydro-3-(carboxyacetyloxy)quercinic acid 24,31-Didehydro-3-(carboxyacetyloxy)quercinic acid 24,31-Didehydro-3-(carboxyacetyloxy)quercinic acid C34H50O7 570.356 InChIKey=LJDYIANNVNRBHB-DAACNWGDSA-N No Yes
3463 4-deoxywithaperuvin 4-deoxywithaperuvin 4-deoxywithaperuvin C28H40O8 504.272 InChIKey=PQZVBIJEPVKNOZ-UZKPJURASA-N No Yes
3464 14a,17b-dihydroxywithanolide 14a,17b-dihydroxywithanolide 14a,17b-dihydroxywithanolide C28H38O8 502.257 InChIKey=GIGKYZWBLHTEDX-AVANTSOTSA-N No Yes
3465 21,24-epoxy-3a,7a,21,23-tetraacetoxy-25-hydroxy-4a,4b,8b-trimethyl-14,18-cyclo-5a,13a,14a,17a-cholestane 21,24-epoxy-3a,7a,21,23-tetraacetoxy-25-hydroxy-4a,4b,8b-trimethyl-14,18-cyclo-5a,13a,14a,17a-cholestane 21,24-epoxy-3a,7a,21,23-tetraacetoxy-25-hydroxy-4a,4b,8b-trimethyl-14,18-cyclo-5a,13a,14a,17a-cholestane C38H58O10 674.403 InChIKey=MPASDPJKUNYWHF-OOJCZEHFSA-N No Yes
3466 21,23-epoxy-3a,7a,21,24,25-pentaacetoxy-4a,4b,8b-trimethyl-14,18-cyclo-5a, 13a, 14a, 17a-cholestane, 21,23-epoxy-3a,7a,21,24,25-pentaacetoxy-4a,4b,8b-trimethyl-14,18-cyclo-5a, 13a, 14a, 17a-cholestane, 21,23-epoxy-3a,7a,21,24,25-pentaacetoxy-4a,4b,8b-trimethyl-14,18-cyclo-5a, 13a, 14a, 17a-cholestane, C40H60O11 716.414 InChIKey=MPUXRIPOXUIXNC-VOIMSNRLSA-N No Yes
3467 fern-9(11)-en-28-oic acid fern-9(11)-en-28-oic acid fern-9(11)-en-28-oic acid C30H48O2 440.365 InChIKey=OIGJHYZHUIFETH-JKLWYVRFSA-N No Yes
3468 7-Oxodihydrokarounidiol-3-benzoate 7-Oxodihydrokarounidiol-3-benzoate 7-Oxodihydrokarounidiol-3-benzoate C39H54O5 602.397 InChIKey=GIGNGBXOOGROMH-ZIGIKCIUSA-N No Yes
3469 Isokarounidiol-3-p-methoxvbenzoate-29-acetate Isokarounidiol-3-p-methoxvbenzoate-29-acetate Isokarounidiol-3-p-methoxvbenzoate-29-acetate C40H56O6 632.408 InChIKey=NYVKRICQRNMHRP-CVSZYKPLSA-N No Yes
3470 Stigmasterol Stigmasterol Stigmasterol C29H48O1 412.371 InChIKey=HCXVJBMSMIARIN-PHZDYDNGSA-N No Yes
3471 Neohop-13(18)-en-3?-ol Neohop-13(18)-en-3?-ol Neohop-13(18)-en-3?-ol C30H50O1 426.386 InChIKey=HJJIKWDBPMITIM-UDVSOGQESA-N No Yes
3473 Boehmerol Boehmerol Boehmerol C30H50O1 426.386 InChIKey=HJJIKWDBPMITIM-OABUCADMSA-N No Yes
3474 Neohop-13(18)-en-3?-ol Neohop-13(18)-en-3?-ol Neohop-13(18)-en-3?-ol C30H50O1 426.386 InChIKey=HJJIKWDBPMITIM-NMNRCDLFSA-N No Yes
3479 Dammara-12,20(22)Z-dien-3-one Dammara-12,20(22)Z-dien-3-one Dammara-12,20(22)Z-dien-3-one C30H48O1 424.371 InChIKey=SXTIDPQFHVNBMX-RWCQTSTGSA-N No Yes
3480 Olean12-en-3b,27-diol Olean12-en-3b,27-diol Olean12-en-3b,27-diol C30H50O2 442.381 InChIKey=VKFYBVXBUHHZMW-ITJTUXTASA-N No Yes
3481 diospyrosooleanolide diospyrosooleanolide diospyrosooleanolide C39H54O6 618.392 InChIKey=COXCAJRRPRVGMU-DOODTNGJSA-N No Yes
3482 3-b-hydroxy-28,19b-oleanolide 3-b-hydroxy-28,19b-oleanolide 3-b-hydroxy-28,19b-oleanolide C30H48O3 456.360 InChIKey=BVJDDPRBYGBPKD-CGGBFJIKSA-N No Yes
3483 Olean-12-ene-1b,3b,11a,28-tetraol Olean-12-ene-1b,3b,11a,28-tetraol Olean-12-ene-1b,3b,11a,28-tetraol C30H50O4 474.371 InChIKey=JHLQPIBNWILPOI-TWAIRLKRSA-N No Yes
3484 11a-Methoxy-olean-12-ene-1b,3b,28-triol 11a-Methoxy-olean-12-ene-1b,3b,28-triol 11a-Methoxy-olean-12-ene-1b,3b,28-triol C31H52O4 488.387 InChIKey=VQGYJAXISTYISP-SZXOOLOOSA-N No Yes
3485 Justicioside A Justicioside A Justicioside A C42H70O14 798.477 InChIKey=XICRXNKRQJQDSB-XTYCTMKJSA-N No Yes
3486 Justicioside B Justicioside B Justicioside B C48H80O19 960.529 InChIKey=VDURSZKGTMOAHE-ZWOZAIDUSA-N No Yes
3487 Justicioside C Justicioside C Justicioside C C43H72O14 812.492 InChIKey=FDHFCNJSNVRBDA-ZRTIRIHISA-N No Yes
3488 Justicioside D Justicioside D Justicioside D C49H82O19 974.545 InChIKey=PCILUPHMAXJENU-PASCNPLGSA-N No Yes