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CHEBI:191553 - 7-Oxostigmasterol

ChEBI IDCHEBI:191553
ChEBI Name7-Oxostigmasterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H46O2
Net Charge0
Average Mass426.685
Monoisotopic Mass426.34978
SMILES[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)/C=C/[C@@H](CC)C(C)C)[C@]1([H])C(=O)C=C1C[C@@H](O)CC[C@@]12C
InChIInChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h8-9,17-20,22-25,27,30H,7,10-16H2,1-6H3/b9-8+/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1
InChIKeyUKMCCFHULJHJNS-RVFLFKIDSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
7-Oxostigmasterol (CHEBI:191553) has parent hydride stigmastane (CHEBI:26773)
7-Oxostigmasterol (CHEBI:191553) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
Manual XrefsDatabases
10393183ChemSpider