B-Nor-5,6-secocholest-2-en-6-oic acid, 1-oxo-, (10.alpha.)-

SpectraBase Compound ID	ELjlh3H1ul9
InChI	InChI=1S/C26H42O3/c1-17(2)9-8-10-18(3)19-12-13-20-23(24(28)29)21(14-16-25(19,20)4)26(5)15-7-6-11-22(26)27/h6,11,17-21,23H,7-10,12-16H2,1-5H3,(H,28,29)
InChIKey	PPBLYMALQBCVFW-UHFFFAOYSA-N Google Search
Mol Weight	402.6 g/mol
Molecular Formula	C26H42O3
Exact Mass	402.313395 g/mol

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SpectraBase Spectrum ID	1Jhx6j5FXIr
Name	B-Nor-5,6-secocholest-2-en-6-oic acid, 1-oxo-, (10.alpha.)-
Alternate Name(s)	1-(1,5-Dimethylhexyl)-7a-methyl-5-(1-methyl-2-oxo-3-cyclohexen-1-yl)octahydro-1H-indene-4-carboxylic acid 1-(1,5-dimethylhexyl)-5-(2-keto-1-methyl-cyclohex-3-en-1-yl)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylic acid 1-(1,5-dimethylhexyl)-7a-methyl-5-(1-methyl-2-oxo-cyclohex-3-en-1-yl)-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylic acid 7a-methyl-1-(6-methylheptan-2-yl)-5-(1-methyl-2-oxidanylidene-cyclohex-3-en-1-yl)-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylic acid 7a-methyl-1-(6-methylheptan-2-yl)-5-(1-methyl-2-oxo-1-cyclohex-3-enyl)-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylic acid 7a-methyl-1-(6-methylheptan-2-yl)-5-(1-methyl-2-oxocyclohex-3-en-1-yl)-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylic acid
CAS Registry Number	3949-50-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H42O3
InChI	InChI=1S/C26H42O3/c1-17(2)9-8-10-18(3)19-12-13-20-23(24(28)29)21(14-16-25(19,20)4)26(5)15-7-6-11-22(26)27/h6,11,17-21,23H,7-10,12-16H2,1-5H3,(H,28,29)
InChIKey	PPBLYMALQBCVFW-UHFFFAOYSA-N
Molecular Weight	402.619 g/mol
SMILES	OC(C1C2CCC(C(CCCC(C)C)C)C2(CCC1C1(CCC=CC1=O)C)C)=O
SPLASH	splash10-03di-2900000000-15e714a0ee59756a3c97
Source of Spectrum	O-8-5-6
Wiley ID	1370620