CHEBI:166788 - 19-Norcholestenone

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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 19-Norcholestenone
ChEBI ID CHEBI:166788
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C26H42O
Net Charge 0
Average Mass 370.621
Monoisotopic Mass 370.32357
InChI InChI=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
InChIKey GJQWMFNAGHAFDW-DNHZKMRASA-N
SMILES O=C1CC[C@@]2([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCCC(C)C)C)[H])(CC3)C)[H])(CCC2=C1)[H])[H])[H]
ChEBI Ontology
Outgoing 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 Xrefs Databases
2339490 ChemSpider
LMST01010313 LIPID MAPS
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Registry Number Type Source
3404-22-6 CAS Registry Number ChemIDplus