Cholestane-2-carboxylic acid, 3,3-[1,2-ethanediylbis(oxy)]-, methyl ester, (2.beta.,5.alpha.)-

SpectraBase Compound ID	FyNYQ1g2hHn
InChI	InChI=1S/C31H52O4/c1-20(2)8-7-9-21(3)24-12-13-25-23-11-10-22-18-31(34-16-17-35-31)27(28(32)33-6)19-30(22,5)26(23)14-15-29(24,25)4/h20-27H,7-19H2,1-6H3
InChIKey	QUBLXKHDGNLRJM-UHFFFAOYSA-N Google Search
Mol Weight	488.8 g/mol
Molecular Formula	C31H52O4
Exact Mass	488.38656 g/mol

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SpectraBase Spectrum ID	3LYxEWsxEbl
Name	Cholestane-2-carboxylic acid, 3,3-[1,2-ethanediylbis(oxy)]-, methyl ester, (2.beta.,5.alpha.)-
Alternate Name(s)	10,13-dimethyl-17-(6-methylheptan-2-yl)-2-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]carboxylic acid methyl ester 17-(1,5-dimethylhexyl)-10,13-dimethyl-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-2-carboxylic acid methyl ester Methyl 10,13-dimethyl-17-(6-methylheptan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-2-carboxylate Methyl 17-(1,5-dimethylhexyl)-10,13-dimethyl-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-2-carboxylate
CAS Registry Number	54498-63-4
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C31H52O4
InChI	InChI=1S/C31H52O4/c1-20(2)8-7-9-21(3)24-12-13-25-23-11-10-22-18-31(34-16-17-35-31)27(28(32)33-6)19-30(22,5)26(23)14-15-29(24,25)4/h20-27H,7-19H2,1-6H3
InChIKey	QUBLXKHDGNLRJM-UHFFFAOYSA-N
Molecular Weight	488.753 g/mol
SMILES	C(OC)(=O)C1C2(CC3C(C1)(C)C1C(C4C(CC1)(C)C(C(CCCC(C)C)C)CC4)CC3)OCCO2
SPLASH	splash10-056u-8923300000-83556a477282e486f855
Source of Spectrum	W5-36513-29023-29023
Wiley ID	1396975