input word = C00036540

Metabolite InformationStructural formula
Name 3beta-Acetoxy-11alpha,13beta-dihydroxyolean-12-one
Formula C32H52O5
Mw 516.38147477
CAS RN 304655-54-7
C_ID C00036540 ,
InChIKey USDSYLZMFDBWGE-FODNRPFGNA-N
InChICode InChI=1S/C32H52O5/c1-19(33)37-22-11-12-29(7)20(27(22,4)5)10-13-30(8)24(29)23(34)25(35)32(36)21-18-26(2,3)14-15-28(21,6)16-17-31(30,32)9/h20-24,34,36H,10-18H2,1-9H3/t20-,21+,22+,23-,24+,28+,29-,30+,31-,32+/m0/s1
SMILES CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3[C@H](O)C(=O)[C@]4(O)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeGordonia ceylanica Ref.
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