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CHEBI:173010 - 23-ethyl-24,26-dimethylcholest-5,24(28)-dien-3beta-ol

ChEBI IDCHEBI:173010
ChEBI Name23-ethyl-24,26-dimethylcholest-5,24(28)-dien-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H52O
Net Charge0
Average Mass440.756
Monoisotopic Mass440.40182
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CC(CC)C(=C)C(C)CC
InChIInChI=1S/C31H52O/c1-8-20(3)22(5)23(9-2)18-21(4)27-12-13-28-26-11-10-24-19-25(32)14-16-30(24,6)29(26)15-17-31(27,28)7/h10,20-21,23,25-29,32H,5,8-9,11-19H2,1-4,6-7H3/t20?,21-,23?,25+,26+,27-,28+,29+,30+,31-/m1/s1
InChIKeyXRLIJRWJZTXDCV-ZDEFQHOLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
23-ethyl-24,26-dimethylcholest-5,24(28)-dien-3beta-ol (CHEBI:173010) has parent hydride gorgostane (CHEBI:24424)
23-ethyl-24,26-dimethylcholest-5,24(28)-dien-3beta-ol (CHEBI:173010) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-ethyl-6-methyl-5-methylideneoctan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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