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4,4-Dimethyl-1(10-5)-abeo-10(5-6.alpha.H)-abeo-cholesta-1(5),9-dien-3-one
SpectraBase Compound ID LGhk91vGdi6
InChI InChI=1S/C29H46O/c1-18(2)9-8-10-19(3)24-11-12-26-23-17-22(25-13-14-27(30)28(25,5)6)20(4)21(23)15-16-29(24,26)7/h13,18-19,22-24,26H,8-12,14-17H2,1-7H3
InChIKey NZSSKYPQDUGZCC-UHFFFAOYSA-N
Mol Weight 410.7 g/mol
Molecular Formula C29H46O
Exact Mass 410.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2T1YmzNgJ3v
Name 4,4-Dimethyl-1(10-5)-abeo-10(5-6.alpha.H)-abeo-cholesta-1(5),9-dien-3-one
CAS Registry Number 56761-45-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O
InChI InChI=1S/C29H46O/c1-18(2)9-8-10-19(3)24-11-12-26-23-17-22(25-13-14-27(30)28(25,5)6)20(4)21(23)15-16-29(24,26)7/h13,18-19,22-24,26H,8-12,14-17H2,1-7H3
InChIKey NZSSKYPQDUGZCC-UHFFFAOYSA-N
Molecular Weight 410.686 g/mol
SMILES C=1(C2C(=C3CCC4(C(C3C2)CCC4C(CCCC(C)C)C)C)C)C(C(=O)CC1)(C)C
SPLASH splash10-03dj-0029800000-f06aae45c9e8af1b6f3f
Source of Spectrum J-40-3788-0
Synonyms 3-[6-(1,5-dimethylhexyl)-3,5a-dimethyl-1,2,4,5,5a,6,7,8,8a,8b-decahydro-as-indacen-2-yl]-2,2-dimethyl-3-cyclopenten-1-one
Wiley ID 1373927