Chol-5-en-24-oic acid, 3-[(trifluoroacetyl)oxy]-, methyl ester, (3.beta.)-

SpectraBase Compound ID	APi6RPb8lvl
InChI	InChI=1S/C27H39F3O4/c1-16(5-10-23(31)33-4)20-8-9-21-19-7-6-17-15-18(34-24(32)27(28,29)30)11-13-25(17,2)22(19)12-14-26(20,21)3/h6,16,18-22H,5,7-15H2,1-4H3
InChIKey	PUNLCMKQMUGOIJ-UHFFFAOYSA-N Google Search
Mol Weight	484.6 g/mol
Molecular Formula	C27H39F3O4
Exact Mass	484.280044 g/mol

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SpectraBase Spectrum ID	CvSeOK1JxQL
Name	Chol-5-en-24-oic acid, 3-[(trifluoroacetyl)oxy]-, methyl ester, (3.beta.)-
CAS Registry Number	56468-53-2
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H39F3O4
InChI	InChI=1S/C27H39F3O4/c1-16(5-10-23(31)33-4)20-8-9-21-19-7-6-17-15-18(34-24(32)27(28,29)30)11-13-25(17,2)22(19)12-14-26(20,21)3/h6,16,18-22H,5,7-15H2,1-4H3
InChIKey	PUNLCMKQMUGOIJ-UHFFFAOYSA-N
Molecular Weight	484.600 g/mol
SMILES	CC12C3C(C4C(CC3)(C)C(C(CCC(OC)=O)C)CC4)CC=C2CC(CC1)OC(C(F)(F)F)=O
SPLASH	splash10-03di-5914000000-ae794da46695b753d48e
Source of Spectrum	SD-1981-0-0
Synonyms	Methyl 3-[(trifluoroacetyl)oxy]chol-5-en-24-oate 4-[10,13-dimethyl-3-(2,2,2-trifluoro-1-oxoethoxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester 4-[10,13-dimethyl-3-(2,2,2-trifluoroacetyl)oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester Methyl 4-[10,13-dimethyl-3-(2,2,2-trifluoroacetyl)oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Methyl 4-[10,13-dimethyl-3-[2,2,2-tris(fluoranyl)ethanoyloxy]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Wiley ID	1396027