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CHEBI:192029 - (6beta,24R)-6-Hydroxystigmast-4-en-3-one

ChEBI IDCHEBI:192029
ChEBI Name(6beta,24R)-6-Hydroxystigmast-4-en-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O2
Net Charge0
Average Mass428.701
Monoisotopic Mass428.36543
SMILESCCC(CCC(C)C1CCC2C3CC(O)C4=CC(=O)CCC4(C)C3CCC12C)C(C)C
InChIInChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25,27,31H,7-15,17H2,1-6H3
InChIKeyIWNCBADONFSAAW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
(6beta,24R)-6-Hydroxystigmast-4-en-3-one (CHEBI:192029) has parent hydride stigmastane (CHEBI:26773)
(6beta,24R)-6-Hydroxystigmast-4-en-3-one (CHEBI:192029) is a steroid (CHEBI:35341)
IUPAC Name 
17-(5-ethyl-6-methylheptan-2-yl)-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
21433172ChemSpider
HMDB0039498HMDB