input word = C00035223

Metabolite InformationStructural formula
Name 3beta-Acetoxy-1beta,11alpha-epidioxy-12-ursene
(+)-3beta-Acetoxy-1beta,11alpha-epidioxy-12-ursene
Formula C32H50O4
Mw 498.37091008
CAS RN 340026-81-5
C_ID C00035223 ,
InChIKey POHSXZIZHBZVSD-JRQRVEIPNA-N
InChICode InChI=1S/C32H50O4/c1-18-10-12-29(6)14-15-30(7)21(26(29)19(18)2)16-22-27-31(30,8)13-11-23-28(4,5)24(34-20(3)33)17-25(36-35-22)32(23,27)9/h16,18-19,22-27H,10-15,17H2,1-9H3/t18-,19+,22+,23+,24+,25-,26+,27+,29-,30-,31-,32-/m1/s1
SMILES CC(=O)O[C@H]1C[C@H]2OO[C@@H]3C=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]4(C)CC[C@@H](C1(C)C)[C@@]2(C)[C@@H]34
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeFicus microcarpa Ref.
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OrganismFicus microcarpa
ReferenceLansky,J.Ethnopharmacol.,119,(2008),195