CHEBI:190164 - Stigmastane-3,6-dione

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Stigmastane-3,6-dione
ChEBI ID CHEBI:190164
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information We are unable to retrieve the vendor information for this entry at this time. Please try again later.
Download Molfile XML SDF
Formula C29H48O2
Net Charge 0
Average Mass 428.701
Monoisotopic Mass 428.36543
InChI InChI=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/h18-20,22-26H,7-17H2,1-6H3/t19-,20-,22+,23-,24+,25+,26?,28-,29-/m1/s1
InChIKey HMMVBUVVQLUGQA-KSYQFOCASA-N
SMILES O=C1C2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CC[C@H](C(C)C)CC)C)[H])(CC3)C)[H])(C1)[H])[H])(CCC(=O)C2)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in Serum (BTO:0000133). See: MetaboLights Study
ChEBI Ontology
Outgoing Stigmastane-3,6-dione (CHEBI:190164) has parent hydride stigmastane (CHEBI:26773)
Stigmastane-3,6-dione (CHEBI:190164) is a steroid (CHEBI:35341)
IUPAC Name
(8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
Manual Xref Database
21377729 ChemSpider
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