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19-Norcholesta-1(10),5-dien-3-ol, (3.beta.)-
SpectraBase Compound ID 2yEJ8rqY8wQ
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/h8,11,17-18,20,22-25,27H,5-7,9-10,12-16H2,1-4H3/t18-,20+,22-,23-,24-,25+,26-/m1/s1
InChIKey VSWMOCXQIVUXBQ-XWLGQTROSA-N
Mol Weight 370.6 g/mol
Molecular Formula C26H42O
Exact Mass 370.323566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJDTihdUtwp
Name 19-Norcholesta-1(10),5-dien-3-ol, (3.beta.)-
Alternate Name(s) (3beta,17beta)-17-[(1R)-1,5-dimethylhexyl]estra-1(10),5-dien-3-ol 19-nor-5.alpha.cholest-1(10),5-dien-3.beta.-ol
CAS Registry Number 115375-50-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42O
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/h8,11,17-18,20,22-25,27H,5-7,9-10,12-16H2,1-4H3/t18-,20+,22-,23-,24-,25+,26-/m1/s1
InChIKey VSWMOCXQIVUXBQ-XWLGQTROSA-N
Molecular Weight 370.621 g/mol
SMILES O[C@]1(CC=C2[C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])[H]
SPLASH splash10-00di-0109000000-919e4f508b1edd6e6ca8
Source of Spectrum KC-1990-2202-12
Wiley ID 1354733