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CHEBI:172997 - 23S,24R-Dimethylcholestan-3beta-ol

ChEBI IDCHEBI:172997
ChEBI Name23S,24R-Dimethylcholestan-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H52O
Net Charge0
Average Mass416.734
Monoisotopic Mass416.40182
SMILESCC(C)[C@@H](C)[C@@H](C)CC(C)[C@H]1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C
InChIInChI=1S/C29H52O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h18-27,30H,8-17H2,1-7H3/t19-,20?,21+,22?,23-,24?,25+,26?,27?,28-,29+/m0/s1
InChIKeyKTGGCSVZUGUIFS-KNFGFYIMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
23S,24R-Dimethylcholestan-3beta-ol (CHEBI:172997) has parent hydride gorgostane (CHEBI:24424)
23S,24R-Dimethylcholestan-3beta-ol (CHEBI:172997) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,10S,13R,17R)-10,13-dimethyl-17-[(4S,5R)-4,5,6-trimethylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
24823304ChemSpider
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