input word = C00036113

Metabolite InformationStructural formula
Name Desacylkondurangogenin C
(+)-Desacylkondurangogenin C
Formula C29H44O9
Mw 536.298533
CAS RN 651712-05-9
C_ID C00036113 ,
InChIKey ZYGWDILNMSOWBD-HWHQFABVNA-N
InChICode InChI=1S/C29H44O9/c1-15(35-16(2)30)22-11-13-29(34)23-9-8-20-14-21(36-17(3)31)10-12-27(20,6)24(23)25(37-18(4)32)26(28(22,29)7)38-19(5)33/h15,20-26,34H,8-14H2,1-7H3/t15-,20-,21-,22+,23+,24+,25-,26+,27-,28-,29-/m0/s1
SMILES CC(=O)OC(C)[C@H]1CC[C@]2(O)[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeMarsdenia roylei Ref.
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OrganismMarsdenia roylei
ReferenceGupta,Phytochem.,64,(2003),1327