All Compounds in Database

Record Name Formula Exact Mass InChIKey Proton NMR Carbon NMR
12828 (13S)-2α,6α,7β-Triacetoxy-4α,18-epoxyneoclerodan-19-al 16,15-lactone (13S)-2α,6α,7β-Triacetoxy-4α,18-epoxyneoclerodan-19-al 16,15-lactone (13S)-2α,6α,7β-Triacetoxy-4α,18-epoxyneoclerodan-19-al 16,15-lactone C26H34O11 522.210 InChIKey=QIQGRISPLDKBNH-BEGCVNOQSA-N No Yes
12829 (13S)-6α,7β-Diacetoxy-2α-isobutyryloxy-4α,-18-epoxyneoclerodan-19-al 16,15-lactone (13S)-6α,7β-Diacetoxy-2α-isobutyryloxy-4α,-18-epoxyneoclerodan-19-al 16,15-lactone (13S)-6α,7β-Diacetoxy-2α-isobutyryloxy-4α,-18-epoxyneoclerodan-19-al 16,15-lactone C28H38O11 550.241 InChIKey=GJFLJDMIWJVOAI-BFSJAWFJSA-N No Yes
12830 (13S,19R)-7β-Acetoxy-4α,18-epoxy-6α-hydroxyneoclerodan-16,15-olide 19,2α-(19-Oisobutyryl)hemiacetal (13S,19R)-7β-Acetoxy-4α,18-epoxy-6α-hydroxyneoclerodan-16,15-olide 19,2α-(19-Oisobutyryl)hemiacetal (13S,19R)-7β-Acetoxy-4α,18-epoxy-6α-hydroxyneoclerodan-16,15-olide 19,2α-(19-Oisobutyryl)hemiacetal C26H38O9 494.252 InChIKey=NDVKXMXPIZRHQJ-WRVCIMNZSA-N No Yes
12831 (13S,19S)-6α,7β-Diacetoxy-4α,18-epoxyneoclerodan-16,15-olide 19,2α-(methyl)acetal (13S,19S)-6α,7β-Diacetoxy-4α,18-epoxyneoclerodan-16,15-olide 19,2α-(methyl)acetal (13S,19S)-6α,7β-Diacetoxy-4α,18-epoxyneoclerodan-16,15-olide 19,2α-(methyl)acetal C25H36O9 480.236 InChIKey=HNCNICVYVSEJTQ-VYQMRMBXSA-N No Yes
12832 (13S)-6α,7β,15,16-Tetraacetoxy-4R,18-epoxyneoclerodane 2α,19-diol (13S)-6α,7β,15,16-Tetraacetoxy-4R,18-epoxyneoclerodane 2α,19-diol (13S)-6α,7β,15,16-Tetraacetoxy-4R,18-epoxyneoclerodane 2α,19-diol C28H44O11 556.288 InChIKey=VORHXCCYXYYQPH-YSBHFZTNSA-N No Yes
12833 (13S)-7β-Acetoxy-6α-tigloyloxy-4α,18-epoxyneoclerodane 2α,15,16,19-tetraol (13S)-7β-Acetoxy-6α-tigloyloxy-4α,18-epoxyneoclerodane 2α,15,16,19-tetraol (13S)-7β-Acetoxy-6α-tigloyloxy-4α,18-epoxyneoclerodane 2α,15,16,19-tetraol C27H44O9 512.299 InChIKey=JBIBKHKMWKWVFN-FRTNUKAISA-N No Yes
12834 (13S)-6α-Acetoxy-4α,18-epoxy-7rhydroxyneoclerodane-16,15;19,2α-diolide (13S)-6α-Acetoxy-4α,18-epoxy-7rhydroxyneoclerodane-16,15;19,2α-diolide (13S)-6α-Acetoxy-4α,18-epoxy-7rhydroxyneoclerodane-16,15;19,2α-diolide C22H30O8 422.194 InChIKey=PZZLMRJHVQMYMR-MSLFUITASA-N No Yes
12835 Caseargrewiins A Caseargrewiins A Caseargrewiins A C30H44O8 532.304 InChIKey=OSFRHUJJEKKRCH-GTMUTZHESA-N No Yes
12836 Caseargrewiins B Caseargrewiins B Caseargrewiins B C37H46O11 666.304 InChIKey=YJKQLKAAMAXUDU-LRBOKHHASA-N No Yes
12837 Caseargrewiin C Caseargrewiin C Caseargrewiin C C31H44O10 576.293 InChIKey=FKSLEDQKNYSZPO-BQLSBOTOSA-N No Yes
12838 Caseargrewiin D Caseargrewiin D Caseargrewiin D C24H34O6 418.236 InChIKey=CLMGAZWYZXAAJO-FURQXPDPSA-N No Yes
12839 11R*-Acetoxykolavenic acid 11R*-Acetoxykolavenic acid 11R*-Acetoxykolavenic acid C22H34O4 362.246 InChIKey=QMNGBVSRMNPSBB-WHCNRNLASA-N No Yes
12840 11R*-Acetoxy-2-oxokolavenic acid 11R*-Acetoxy-2-oxokolavenic acid 11R*-Acetoxy-2-oxokolavenic acid C22H32O5 376.225 InChIKey=OGJIWAKJLZXQIS-UCRSWXCBSA-N No Yes
12841 11R*-Acetoxy-3β-hydroxyneocleroda-4(18),13E-dien-15-oic acid 11R*-Acetoxy-3β-hydroxyneocleroda-4(18),13E-dien-15-oic acid 11R*-Acetoxy-3β-hydroxyneocleroda-4(18),13E-dien-15-oic acid C22H34O5 378.241 InChIKey=VTPJBCUNWKVPKU-BNSLJBOUSA-N No Yes
12842 Gaudichanolide A Gaudichanolide A Gaudichanolide A C20H26O6 362.173 InChIKey=UEZDHJNAPGALTA-CATYURAJSA-N No Yes
12843 Gaudichanolide B Gaudichanolide B Gaudichanolide B C20H26O5 346.178 InChIKey=LUYUZBFGBTZZHC-MZPLKYJQSA-N No Yes
12844 7-Oxo-16,19-dihydroxy-3,4-dehydroclerodan-15,20-diaciddilactone 7-Oxo-16,19-dihydroxy-3,4-dehydroclerodan-15,20-diaciddilactone 7-Oxo-16,19-dihydroxy-3,4-dehydroclerodan-15,20-diaciddilactone C20H26O5 346.178 InChIKey=LUYUZBFGBTZZHC-JOXYBWGKSA-N No Yes
12845 7-Oxo-16,19-dihydroxy-3,4-dehydroclerodan-15,20-diaciddilactone 7-Oxo-16,19-dihydroxy-3,4-dehydroclerodan-15,20-diaciddilactone 7-Oxo-16,19-dihydroxy-3,4-dehydroclerodan-15,20-diaciddilactone C20H28O5 348.194 InChIKey=HDHVLYXLWIMGEO-FIEGYAEPSA-N No Yes
12846 Caseamembrin M Caseamembrin M Caseamembrin M C33H48O9 588.330 InChIKey=AELPJSZDZHHLQC-JUVNTAARSA-N No Yes
12847 Caseamembrin N Caseamembrin N Caseamembrin N C30H42O10 562.278 InChIKey=GFJLYOYUCCNCHS-PDUGWLJNSA-N No Yes
12848 Caseamembrin O Caseamembrin O Caseamembrin O C31H44O10 576.293 InChIKey=MXZZEEMZKQYYNV-PCCLTOHNSA-N No Yes
12849 Roseosrachenol acetate Roseosrachenol acetate Roseosrachenol acetate C22H36O3 348.266 InChIKey=AMSQTUXYVDDIQQ-XNMBGZKUSA-N No Yes
12850 Roseotetrol Roseotetrol Roseotetrol C20H36O4 340.261 InChIKey=POYQRVMPOBIHHI-AXKZPSBTSA-N No Yes
12851 Roseotetrol acetate Roseotetrol acetate Roseotetrol acetate C22H38O5 382.272 InChIKey=OZJQLOCNNMYYOP-NAUTYMSESA-N No Yes
12852 C27H36O11 536.226 InChIKey=ZXGKLWUOGQDOTD-WPQKENIJSA-N No Yes
12853 C21H26O6 374.173 InChIKey=OUDOZOWBJINZGF-UBNBHSKNSA-N No Yes
12854 C33H46O16 698.279 InChIKey=RDANOZJKKFLLEO-SHVLKNRUSA-N No Yes
12855 C33H46O16 698.279 InChIKey=RDANOZJKKFLLEO-SHVLKNRUSA-N No Yes
12856 Methyl (4aS,6R,6aR,9R,10aS,10bS)-2-(3-furyl)-6-(β-D-glucopyranosyloxy)-9-hydroxy-6a,10b-dimethyl-4-oxo-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-2H-benzo[f]isochromene-7-carboxylate Methyl (4aS,6R,6aR,9R,10aS,10bS)-2-(3-furyl)-6-(β-D-glucopyranosyloxy)-9-hydroxy-6a,10b-dimethyl-4-oxo-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-2H-benzo[f]isochromene-7-carboxylate Methyl (4aS,6R,6aR,9R,10aS,10bS)-2-(3-furyl)-6-(β-D-glucopyranosyloxy)-9-hydroxy-6a,10b-dimethyl-4-oxo-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-2H-benzo[f]isochromene-7-carboxylate C27H36O12 552.221 InChIKey=XUOAZZCHOKUHCF-YMUPWNEFSA-N No Yes
12857 Methyl (4aS,6R,6aR,9R,10aS,10bS)-2-(3-furyl)-6-(β-D-glucopyranosyloxy)-9-hydroxy-6a,10b-dimethyl-4-oxo-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-2H-benzo[f]isochromene-7-carboxylate Methyl (4aS,6R,6aR,9R,10aS,10bS)-2-(3-furyl)-6-(β-D-glucopyranosyloxy)-9-hydroxy-6a,10b-dimethyl-4-oxo-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-2H-benzo[f]isochromene-7-carboxylate Methyl (4aS,6R,6aR,9R,10aS,10bS)-2-(3-furyl)-6-(β-D-glucopyranosyloxy)-9-hydroxy-6a,10b-dimethyl-4-oxo-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-2H-benzo[f]isochromene-7-carboxylate C27H36O12 552.221 InChIKey=XUOAZZCHOKUHCF-YMUPWNEFSA-N No Yes
12858 Borapetol B Borapetol B Borapetol B C21H26O7 390.168 InChIKey=WMFCEJSQHFTWJN-BPZXYWNUSA-N No Yes
12859 Methyl (1S,2R,5R,7S,8S,9R)-8-[2-(3-furyl)-2-(β-D-glucopyranosyloxy)ethyl]-5-hydroxy-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.02,7]dodec-3-ene-3-carboxylate Methyl (1S,2R,5R,7S,8S,9R)-8-[2-(3-furyl)-2-(β-D-glucopyranosyloxy)ethyl]-5-hydroxy-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.02,7]dodec-3-ene-3-carboxylate Methyl (1S,2R,5R,7S,8S,9R)-8-[2-(3-furyl)-2-(β-D-glucopyranosyloxy)ethyl]-5-hydroxy-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.02,7]dodec-3-ene-3-carboxylate C27H36O12 552.221 InChIKey=GMZIBNWBLDPKAJ-GBALMPINSA-N No Yes
12860 15-Methoxy-16-oxo-nidoresedic acid 15-Methoxy-16-oxo-nidoresedic acid 15-Methoxy-16-oxo-nidoresedic acid C21H30O5 362.209 InChIKey=OMPUFZJBZRIZHJ-CULFUZIZSA-N No Yes
12861 Scutorientalin A Scutorientalin A Scutorientalin A C26H38O8 478.257 InChIKey=XNHRPVTVTBEJMF-OEFJJKCRSA-N No Yes
12862 Scutorienlalin B Scutorienlalin B Scutorienlalin B C26H38O9 494.252 InChIKey=IEVOIZMETCMOBR-KCNFHIIESA-N No Yes
12863 Scutorientalin C Scutorientalin C Scutorientalin C C26H38O9 494.252 InChIKey=FMSAYGWVBGBTMZ-XFCFZYCESA-N No Yes
12864 Teucrasiatin Teucrasiatin Teucrasiatin C22H28O7 404.184 InChIKey=NUWZPFWRHBOHLZ-LKFGLWOWSA-N No Yes
12865 20-O-Acetylteucrasiatin 20-O-Acetylteucrasiatin 20-O-Acetylteucrasiatin C24H30O8 446.194 InChIKey=GXQZOQHVBGNFHI-PIIKFKNSSA-N No Yes
12866 Gnaphalidin Gnaphalidin Gnaphalidin C24H30O8 446.194 InChIKey=GXQZOQHVBGNFHI-CZQCRYLRSA-N No Yes
12867 rel-18(S),19(R)-Diacetoxy-18,19-epoxy-2(R),6(S),16-trihydroxy-6(S)-myristoyloxy-5(R),8(R),9(S),10(R)-cleroda-3,12,14-triene rel-18(S),19(R)-Diacetoxy-18,19-epoxy-2(R),6(S),16-trihydroxy-6(S)-myristoyloxy-5(R),8(R),9(S),10(R)-cleroda-3,12,14-triene rel-18(S),19(R)-Diacetoxy-18,19-epoxy-2(R),6(S),16-trihydroxy-6(S)-myristoyloxy-5(R),8(R),9(S),10(R)-cleroda-3,12,14-triene C38H60O10 676.419 InChIKey=FLOKZUWFMRUBNA-GUAVIRGYSA-N No Yes
12868 rel-18(S),19(R)-Diacetoxy-18,19-epoxy-2(R),6(S),16-trihydroxy-7(S)-myristoyloxy-5(R),8(R),9(S),10(R)-cleroda-3,12,14-triene rel-18(S),19(R)-Diacetoxy-18,19-epoxy-2(R),6(S),16-trihydroxy-7(S)-myristoyloxy-5(R),8(R),9(S),10(R)-cleroda-3,12,14-triene rel-18(S),19(R)-Diacetoxy-18,19-epoxy-2(R),6(S),16-trihydroxy-7(S)-myristoyloxy-5(R),8(R),9(S),10(R)-cleroda-3,12,14-triene C38H60O10 676.419 InChIKey=APNJAKCPHWLNTK-GUAVIRGYSA-N No Yes
12869 Deoxyajugarin-I Deoxyajugarin-I Deoxyajugarin-I C24H34O6 418.236 InChIKey=OMOQXHPINAOUKL-PJYLTOCGSA-N No Yes
12871 Dihydroclerodin-I Dihydroclerodin-I Dihydroclerodin-I C24H36O7 436.246 InChIKey=GLFMZGODSSXZRK-NVSXQWMQSA-N No Yes
12872 Clerodinins C Clerodinins C Clerodinins C C26H40O8 480.272 InChIKey=NNGXCYCJTUSCQE-YVXNCJKZSA-N No Yes
12873 Clerodinins D Clerodinins D Clerodinins D C26H40O8 480.272 InChIKey=NNGXCYCJTUSCQE-WQTTYCOWSA-N No Yes
12874 3β-Acetoxyclerodinin D 3β-Acetoxyclerodinin D 3β-Acetoxyclerodinin D C28H42O10 538.278 InChIKey=KELWGSSLXXIRKR-ANBJSBCDSA-N No Yes
12875 15β-Ethoxy-14-hydroajugapitin 15β-Ethoxy-14-hydroajugapitin 15β-Ethoxy-14-hydroajugapitin C31H48O11 596.320 InChIKey=BYEWAYHTOJPYKI-YRXZADRNSA-N No Yes
12876 15α-Ethoxy-14-hydroajugapitin 15α-Ethoxy-14-hydroajugapitin 15α-Ethoxy-14-hydroajugapitin C31H48O11 596.320 InChIKey=BYEWAYHTOJPYKI-OGADJINCSA-N No Yes
12877 Scutebaicalin Scutebaicalin Scutebaicalin C34H38O7 558.262 InChIKey=CWOKDPJWTGLVOB-SYBWOBSOSA-N No Yes
12878 (13S)-11b,19-Diacetoxy-4a,18;8b,13-diepoxy-6a-isobutyroxy-neo-clerodan-15,16-olide (13S)-11b,19-Diacetoxy-4a,18;8b,13-diepoxy-6a-isobutyroxy-neo-clerodan-15,16-olide (13S)-11b,19-Diacetoxy-4a,18;8b,13-diepoxy-6a-isobutyroxy-neo-clerodan-15,16-olide C28H40O10 536.262 InChIKey=IDFGPSFGOXFUHL-RNGJIQKASA-N No Yes