Cholan-24-oic acid, 3,12-bis[(trifluoroacetyl)oxy]-, (3.alpha.,5.beta.,12.alpha.)-

SpectraBase Compound ID	5XJFGihaN8C
InChI	InChI=1S/C28H38F6O6/c1-14(4-9-22(35)36)18-7-8-19-17-6-5-15-12-16(39-23(37)27(29,30)31)10-11-25(15,2)20(17)13-21(26(18,19)3)40-24(38)28(32,33)34/h14-21H,4-13H2,1-3H3,(H,35,36)
InChIKey	MBERLVXTFAIJCD-UHFFFAOYSA-N Google Search
Mol Weight	584.6 g/mol
Molecular Formula	C28H38F6O6
Exact Mass	584.257258 g/mol

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SpectraBase Spectrum ID	1qkxE3wCFZ6
Name	Cholan-24-oic acid, 3,12-bis[(trifluoroacetyl)oxy]-, (3.alpha.,5.beta.,12.alpha.)-
Alternate Name(s)	3,12-Bis[(trifluoroacetyl)oxy]cholan-24-oic acid 4-[10,13-dimethyl-3,12-bis(2,2,2-trifluoro-1-oxoethoxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid 4-[10,13-dimethyl-3,12-bis[(2,2,2-trifluoroacetyl)oxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid 4-[10,13-dimethyl-3,12-bis[(2,2,2-trifluoroacetyl)oxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid 4-[10,13-dimethyl-3,12-bis[2,2,2-tris(fluoranyl)ethanoyloxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
CAS Registry Number	56438-17-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H38F6O6
InChI	InChI=1S/C28H38F6O6/c1-14(4-9-22(35)36)18-7-8-19-17-6-5-15-12-16(39-23(37)27(29,30)31)10-11-25(15,2)20(17)13-21(26(18,19)3)40-24(38)28(32,33)34/h14-21H,4-13H2,1-3H3,(H,35,36)
InChIKey	MBERLVXTFAIJCD-UHFFFAOYSA-N
Molecular Weight	584.596 g/mol
SMILES	OC(CCC(C1C2(C)C(C3C(CC2OC(C(F)(F)F)=O)C2(C)C(CC3)CC(CC2)OC(C(F)(F)F)=O)CC1)C)=O
SPLASH	splash10-066r-9814000000-ac9d342e1e755581c104
Source of Spectrum	SD-1981-0-0
Wiley ID	1408805