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CHEBI:171899 - (3beta,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one

Default Structure
ChEBI IDCHEBI:171899
ChEBI Name(3beta,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H50O4
Net Charge0
Average Mass462.715
Monoisotopic Mass462.37091
SMILESCCC(C(C)C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CCC12C
InChIInChI=1S/C29H50O4/c1-7-19(16(2)3)27(33)26(32)17(4)21-8-9-22-20-15-25(31)24-14-18(30)10-12-29(24,6)23(20)11-13-28(21,22)5/h16-24,26-27,30,32-33H,7-15H2,1-6H3
InChIKeyDYENWMUXSKPFLC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
(3beta,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one (CHEBI:171899) has parent hydride stigmastane (CHEBI:26773)
(3beta,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one (CHEBI:171899) is a steroid (CHEBI:35341)
IUPAC Name 
17-(5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Manual XrefsDatabases
HMDB0039713HMDB