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CHEBI:203350 - (20S,22S,23E)-22O-acetyl-25-hydroxylanosta-8,23(E)-dien-3-one

Default Structure
ChEBI IDCHEBI:203350
ChEBI Name(20S,22S,23E)-22O-acetyl-25-hydroxylanosta-8,23(E)-dien-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H50O4
Net Charge0
Average Mass498.748
Monoisotopic Mass498.37091
SMILESCC(=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
InChIInChI=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
InChIKeyHIOCTGSCXFLFKE-OPZSKAJMSA-N
Species of MetaboliteComponentSourceComments
Scleroderma citrinum (ncbitaxon:68788) - PubMed (12865983)
ChEBI Ontology
Outgoing Relation(s)
(20S,22S,23E)-22O-acetyl-25-hydroxylanosta-8,23(E)-dien-3-one (CHEBI:203350) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(E,2S,3R)-6-hydroxy-6-methyl-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-4-en-3-yl] acetate
Manual XrefsDatabases
78436998ChemSpider