All Compounds in Database

Record Name Formula Exact Mass InChIKey Proton NMR Carbon NMR
21044 Coagulin O Coagulin O Coagulin O C34H50O11 634.335 InChIKey=ZGFSMKCODQJWHY-DKZVLZAESA-N No Yes
21045 (20S, 22R)-4β, 5β, 6α, 27-tetrahydroxy-1-oxo-witha-2,24-dienolide (20S, 22R)-4β, 5β, 6α, 27-tetrahydroxy-1-oxo-witha-2,24-dienolide (20S, 22R)-4β, 5β, 6α, 27-tetrahydroxy-1-oxo-witha-2,24-dienolide C28H40O7 488.277 InChIKey=MYGPMUHRIQQNSB-DAKZBPTQSA-N No Yes
21046 (20R, 22R,24S,25R)-4β, 20β-dihidroxy-5β,6β-epoxy-3β-methoxy-1-oxowithanolide (20R, 22R,24S,25R)-4β, 20β-dihidroxy-5β,6β-epoxy-3β-methoxy-1-oxowithanolide (20R, 22R,24S,25R)-4β, 20β-dihidroxy-5β,6β-epoxy-3β-methoxy-1-oxowithanolide C29H44O7 504.309 InChIKey=AFBUGKSTCXETMA-IHDABQKYSA-N No Yes
21047 3-O-(β-D-glucopyranosy(1   6)- β-D-glucopyranosyl)-(20S,22R)-1α,3βdihydroxywitha-5,24-dienolide 3-O-(β-D-glucopyranosy(1 6)- β-D-glucopyranosyl)-(20S,22R)-1α,3βdihydroxywitha-5,24-dienolide 3-O-(β-D-glucopyranosy(1   6)- β-D-glucopyranosyl)-(20S,22R)-1α,3βdihydroxywitha-5,24-dienolide C40H62O14 766.414 InChIKey=ZBLWKSUMHLVXAM-KFJRISAASA-N No Yes
21048 Acid hydrolysis comp 1 Acid hydrolysis comp 1 Acid hydrolysis comp 1 C36H54O12 678.362 InChIKey=ACXRDVCAKSUCPM-SOTUBAIFSA-N No Yes
21049 (22R)-1alpha-Acetoxy-3beta-(beta-D-glucopyranosyloxy)-22,27-dihydroxyergosta-5,24-diene-26-oic acid delta-lactone (22R)-1alpha-Acetoxy-3beta-(beta-D-glucopyranosyloxy)-22,27-dihydroxyergosta-5,24-diene-26-oic acid delta-lactone (22R)-1alpha-Acetoxy-3beta-(beta-D-glucopyranosyloxy)-22,27-dihydroxyergosta-5,24-diene-26-oic acid delta-lactone C36H54O11 662.367 InChIKey=SKADEWVNQSRPEJ-SQXNYGDCSA-N No Yes
21050 (22R)-1-Oxo-3beta-(beta-D-glucopyranosyloxy)-20,22,27-trihydroxyergosta-5,24-diene-26-oic acid delta-lactone (22R)-1-Oxo-3beta-(beta-D-glucopyranosyloxy)-20,22,27-trihydroxyergosta-5,24-diene-26-oic acid delta-lactone (22R)-1-Oxo-3beta-(beta-D-glucopyranosyloxy)-20,22,27-trihydroxyergosta-5,24-diene-26-oic acid delta-lactone C34H50O11 634.335 InChIKey=OJRQAQMTUKIJMK-ZQZNKOBESA-N No Yes
21051 Acid hydrolysis comp 3 Acid hydrolysis comp 3 Acid hydrolysis comp 3 C28H40O6 472.282 InChIKey=LEZKGSCTSNJTQW-NPOCFICISA-N No Yes
21052 (22R)-1-Oxo-3beta-(beta-D-glucopyranosyloxy)-14,20,22,27-tetrahydroxyergosta-5,24-diene-26-oic acid delta-lactone (22R)-1-Oxo-3beta-(beta-D-glucopyranosyloxy)-14,20,22,27-tetrahydroxyergosta-5,24-diene-26-oic acid delta-lactone (22R)-1-Oxo-3beta-(beta-D-glucopyranosyloxy)-14,20,22,27-tetrahydroxyergosta-5,24-diene-26-oic acid delta-lactone C34H50O12 650.330 InChIKey=QMXYKJHMLYEGKG-UVPMUZRKSA-N No Yes
21053 Withanolide D Withanolide D Withanolide D C28H38O6 470.267 InChIKey=SASUFNRGCZMRFD-JCUIILOWSA-N No Yes
21054 12β-acetoxy-4 deoxy, 5,6, deoxy-Δ5-Withanolide D 12β-acetoxy-4 deoxy, 5,6, deoxy-Δ5-Withanolide D 12β-acetoxy-4 deoxy, 5,6, deoxy-Δ5-Withanolide D C30H40O6 496.282 InChIKey=OPBMWKKZPMWIGN-IKQYNNDNSA-N No Yes
21055 Phyperunolide A Phyperunolide A Phyperunolide A C28H36O7 484.246 InChIKey=SIKZNVCVFKYREE-LTCWBFOISA-N No Yes
21056 Phyperunolide B Phyperunolide B Phyperunolide B C28H40O9 520.267 InChIKey=ZASRUQSHYAZZFL-PCLZMVHQSA-N No Yes
21058 Phyperunolide D Phyperunolide D Phyperunolide D C28H40O9 520.267 InChIKey=ZONIGGFORJUQDQ-PCLZMVHQSA-N No Yes
21059 Peruvianoxide Peruvianoxide Peruvianoxide C11H16O3 196.110 InChIKey=XEVQXKKKAVVSMW-WRWORJQWSA-N No Yes
21060 Phyperunolide E Phyperunolide E Phyperunolide E C28H40O9 520.267 InChIKey=AKXPZRHYDOQYLZ-WQYKXGBASA-N No Yes
21061 Phyperunolide F Phyperunolide F Phyperunolide F C30H44O9 548.299 InChIKey=CCXSSZZGSPYPCR-XEWZXFMASA-N No Yes
21062 Coagulin S Coagulin S Coagulin S C28H42O10 538.278 InChIKey=QIHKYOJKCDYVEC-ALBMBVGKSA-N No Yes
21063 Withaphysalin P Withaphysalin P Withaphysalin P C28H34O7 482.230 InChIKey=ULVNHGXVDRQFGW-GFHVMFGFSA-N No Yes
21064 18-O-Acetylwithaphysalin C 18-O-Acetylwithaphysalin C 18-O-Acetylwithaphysalin C C30H38O8 526.257 InChIKey=RXOSNUCVMHKCMT-HQJZXUETSA-N No Yes
21065 14,18-Di-O-acetylwithaphysalin C 14,18-Di-O-acetylwithaphysalin C 14,18-Di-O-acetylwithaphysalin C C32H40O9 568.267 InChIKey=VIFILJAUJSFGCQ-BYEPUWPZSA-N No Yes
21066 Withaphysali Q Withaphysali Q Withaphysali Q C30H42O7 514.293 InChIKey=SAIFFVVGSHBPGI-WDWDINRGSA-N No Yes
21067 Withaphysalin R Withaphysalin R Withaphysalin R C29H40O7 500.277 InChIKey=MTEZZEZYSSQMGV-CFOUUKSXSA-N No Yes
21068 5-O-Methoxywithaphysalin R 5-O-Methoxywithaphysalin R 5-O-Methoxywithaphysalin R C30H42O7 514.293 InChIKey=SINFZVOONTYVFG-ZLWPEUFGSA-N No Yes
21069 15-O-Acetylwithaphysalin S 15-O-Acetylwithaphysalin S 15-O-Acetylwithaphysalin S C31H42O9 558.283 InChIKey=GUYKIBXCTGMRCO-MLFTVYOOSA-N No Yes
21070 6,15-Di-O-acetylwithaphysalin S 6,15-Di-O-acetylwithaphysalin S 6,15-Di-O-acetylwithaphysalin S C33H44O10 600.293 InChIKey=ZWSPQSKURNELOW-LISVHOBQSA-N No Yes
21071 Baimantuoluoline A Baimantuoluoline A Baimantuoluoline A C28H38O7 486.262 InChIKey=PXNLYJYFBSKVBN-PPRIEWEISA-N No Yes
21072 Baimantuoluoline B Baimantuoluoline B Baimantuoluoline B C28H42O7 490.293 InChIKey=JAMJEDHAOGTJCL-RBCPCGBVSA-N No Yes
21073 Baimantuoluoline C Baimantuoluoline C Baimantuoluoline C C29H42O8 518.288 InChIKey=BOFMUGXANDFGGL-UPYDOUBHSA-N No Yes
21074 Withafastuosin E Withafastuosin E Withafastuosin E C28H40O7 488.277 InChIKey=UCOUIXCKSZUAKU-UEUAQXGFSA-N No Yes
21075 Withametelin C Withametelin C Withametelin C C28H42O6 474.298 InChIKey=WJIFGCPZQNCQCO-XZSNOIHQSA-N No Yes
21076 coagulanolide coagulanolide coagulanolide C28H38O7 486.262 InChIKey=XAEUKOBJPRGERY-VLXOZLMASA-N No Yes
21077 Withanolides F Withanolides F Withanolides F C28H38O6 470.267 InChIKey=GQHHHBATDOXAEP-MEZCUPPISA-N No Yes
21078 Withanolide J Withanolide J Withanolide J C28H38O6 470.267 InChIKey=GQHHHBATDOXAEP-WEJNEFSASA-N No Yes
21080 Physalin X Physalin X Physalin X C28H30O10 526.184 InChIKey=YANMOPNMEHOFDO-FDWWPGCBSA-N No Yes
21082 (22R)-5b,6b :14a,17 : 14b,26-triepoxy-2a-ethoxy-13,20,22-trihydroxy-1,15-dioxo-16a,24-cyclo-13,14-secoergosta-18,27-dioic acid 18!20,27!22-dilactone (22R)-5b,6b :14a,17 : 14b,26-triepoxy-2a-ethoxy-13,20,22-trihydroxy-1,15-dioxo-16a,24-cyclo-13,14-secoergosta-18,27-dioic acid 18!20,27!22-dilactone (22R)-5b,6b :14a,17 : 14b,26-triepoxy-2a-ethoxy-13,20,22-trihydroxy-1,15-dioxo-16a,24-cyclo-13,14-secoergosta-18,27-dioic acid 18!20,27!22-dilactone C30H36O11 572.226 InChIKey=MHHHJVJSZBKXRH-QCCPAVIHSA-N No Yes
21083 C29H34O11 558.210 InChIKey=CHZSVNLGISWUMU-HOTIZHKESA-N No Yes
21084 Baimantuoluoline D Baimantuoluoline D Baimantuoluoline D C29H42O8 518.288 InChIKey=BITPKXAIIYSKLI-QPVLULDUSA-N No Yes
21085 Baimantuoluoline E Baimantuoluoline E Baimantuoluoline E C28H40O8 504.272 InChIKey=NNBAESIGXWIEDH-RAYSIIHCSA-N No Yes
21086 Baimantuoluoline F Baimantuoluoline F Baimantuoluoline F C28H42O7 490.293 InChIKey=UHWZHELCERUWCD-OOHVVAOXSA-N No Yes
21087 Withatatulin D Withatatulin D Withatatulin D C28H40O7 488.277 InChIKey=PXBJIGCBUIUIPR-OOHVVAOXSA-N No Yes
21088 Withafastuosin F Withafastuosin F Withafastuosin F C28H40O8 504.272 InChIKey=IIGAMLZDLFOICW-BRGMOJRSSA-N No Yes
21089 Withametelin G Withametelin G Withametelin G C28H38O6 470.267 InChIKey=QDXNBCJROMNCKV-DDJNLCFPSA-N No Yes
21090 Isolariciresinol Isolariciresinol Isolariciresinol C20H24O6 360.157 InChIKey=OGFXBIXJCWAUCH-FOQQBSBESA-N No Yes
21091 Perulactone C Perulactone C Perulactone C C30H46O8 534.319 InChIKey=JTTNXCPQWKBGNX-PKZWWPHUSA-N No Yes
21092 Perulactone D Perulactone D Perulactone D C30H46O8 534.319 InChIKey=JTTNXCPQWKBGNX-LGYDJDRTSA-N No Yes
21093 Baimantuoluosides A Baimantuoluosides A Baimantuoluosides A C34H48O12 648.315 InChIKey=AIYMAHAWOXSLTP-YTNWMXSPSA-N No Yes
21094 Baimantuoluosides A Baimantuoluosides A Baimantuoluosides A C28H38O7 486.262 InChIKey=ZYXVOZNURJLMFP-IBLUKMDJSA-N No Yes
21095 Baimantuoluosides B Baimantuoluosides B Baimantuoluosides B C34H48O12 648.315 InChIKey=AIYMAHAWOXSLTP-NGSILSQESA-N No Yes
21096 Baimantuoluosides B Baimantuoluosides B Baimantuoluosides B C28H38O7 486.262 InChIKey=ZYXVOZNURJLMFP-BNNRDBEOSA-N No Yes