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Cholestan-16-one, (5.alpha.)-
SpectraBase Compound ID 4pOAianMTyZ
InChI InChI=1S/C27H46O/c1-18(2)9-8-10-19(3)25-24(28)17-23-21-13-12-20-11-6-7-15-26(20,4)22(21)14-16-27(23,25)5/h18-23,25H,6-17H2,1-5H3
InChIKey JXOFACSQEIUHLL-UHFFFAOYSA-N
Mol Weight 386.7 g/mol
Molecular Formula C27H46O
Exact Mass 386.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IbVPQ4IPYFS
Name Cholestan-16-one, (5.alpha.)-
CAS Registry Number 54593-98-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O
InChI InChI=1S/C27H46O/c1-18(2)9-8-10-19(3)25-24(28)17-23-21-13-12-20-11-6-7-15-26(20,4)22(21)14-16-27(23,25)5/h18-23,25H,6-17H2,1-5H3
InChIKey JXOFACSQEIUHLL-UHFFFAOYSA-N
Molecular Weight 386.664 g/mol
SMILES CC12C(C3C(CC2)C2(C)C(CC3)CCCC2)CC(C1C(CCCC(C)C)C)=O
SPLASH splash10-0600-9477000000-9cc39de50949526025c1
Source of Spectrum C-84-1435-14
Synonyms Cholestan-16-one 10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one 17-(1,5-dimethylhexyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one
Wiley ID 1363169