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CHEBI:166788 - 19-Norcholestenone

ChEBI IDCHEBI:166788
ChEBI Name19-Norcholestenone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H42O
Net Charge0
Average Mass370.621
Monoisotopic Mass370.32357
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3([H])[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)C
InChIInChI=1S/C26H42O/c1-17(2)6-5-7-18(3)24-12-13-25-23-10-8-19-16-20(27)9-11-21(19)22(23)14-15-26(24,25)4/h16-18,21-25H,5-15H2,1-4H3/t18-,21+,22-,23-,24-,25+,26-/m1/s1
InChIKeyGJQWMFNAGHAFDW-DNHZKMRASA-N
ChEBI Ontology
Outgoing Relation(s)
19-Norcholestenone (CHEBI:166788) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(8R,9S,10R,13R,14S,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
LMST01010313LIPID MAPS
2339490ChemSpider
Registry NumbersSources
CAS:3404-22-6ChemIDplus