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CHEBI:178534 - Secasterone

ChEBI IDCHEBI:178534
ChEBI NameSecasterone
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SubmitterMetaboLights
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FormulaC28H46O4
Net Charge0
Average Mass446.672
Monoisotopic Mass446.33961
SMILES[H][C@@]12CC(=O)[C@@]3([H])C[C@H]4O[C@H]4C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C
InChIInChI=1S/C28H46O4/c1-14(2)15(3)25(30)26(31)16(4)18-7-8-19-17-11-22(29)21-12-23-24(32-23)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-31H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,23+,24-,25+,26+,27+,28+/m0/s1
InChIKeyWDGGOKUICSKRHH-UWDHJCPDSA-N
ChEBI Ontology
Outgoing Relation(s)
Secasterone (CHEBI:178534) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(1S,2R,4S,6R,8S,11S,12S,15R,16S)-15-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2,16-dimethyl-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-9-one
Manual XrefsDatabases
8654166ChemSpider