input word = C00050502

Metabolite InformationStructural formula
Name (20S,22S,23E)-22-O-Acetyl-25-hydroxylanosta-8,23(E)-dien-3-one
Formula C32H50O4
Mw 498.37091008
CAS RN 631920-52-0
C_ID C00050502
InChIKey HIOCTGSCXFLFKE-OPZSKAJMSA-N
InChICode InChI=1S/C32H50O4/c1-20(25(36-21(2)33)14-16-28(3,4)35)22-12-18-32(9)24-10-11-26-29(5,6)27(34)15-17-30(26,7)23(24)13-19-31(22,32)8/h14,16,20,22,25-26,35H,10-13,15,17-19H2,1-9H3/b16-14+/t20-,22+,25+,26-,30+,31+,32-/m0/s1
SMILES CC(=O)O[C@H](/C=C/C(C)(C)O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Scleroderma citrinum Ref.
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OrganismScleroderma citrinum
ReferenceKanokmedhakul, et al., Planta Med, 69, (2003), 568.