input word = C00036538

Metabolite InformationStructural formula
Name 3beta,11alpha-Diacetoxy-13beta-hydroxyolean-12-one
Formula C34H54O6
Mw 558.39203946
CAS RN 304655-55-8
C_ID C00036538 ,
InChIKey DSICOADBIKAGSE-YKEVFMIZNA-N
InChICode InChI=1S/C34H54O6/c1-20(35)39-24-12-13-31(8)22(29(24,5)6)11-14-32(9)26(31)25(40-21(2)36)27(37)34(38)23-19-28(3,4)15-16-30(23,7)17-18-33(32,34)10/h22-26,38H,11-19H2,1-10H3/t22-,23+,24+,25-,26+,30+,31-,32+,33-,34+/m0/s1
SMILES C1(CC[C@]2([C@@H](C1)[C@@]1([C@@](CC2)([C@]2([C@H]([C@@H](C1=O)OC(=O)C)[C@@]1([C@@H](CC2)C([C@@H](CC1)OC(=O)C)(C)C)C)C)C)O)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeGordonia ceylanica Ref.
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OrganismGordonia ceylanica
ReferenceHerath,Phytochem.,54,(2000),823