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[2,2,2-trifluoro-1-(trifluoromethyl)ethyl] (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-12-oxo-3-(2,2,2-trifluoroacetyl)oxy-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

Compound with spectra: 2 MS (GC)

[2,2,2-trifluoro-1-(trifluoromethyl)ethyl] (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-12-oxo-3-(2,2,2-trifluoroacetyl)oxy-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
SpectraBase Compound ID E5HTy3Kzxlq
InChI InChI=1S/C29H37F9O5/c1-14(4-9-22(40)43-23(27(30,31)32)28(33,34)35)18-7-8-19-17-6-5-15-12-16(42-24(41)29(36,37)38)10-11-25(15,2)20(17)13-21(39)26(18,19)3/h14-20,23H,4-13H2,1-3H3/t14-,15-,16-,17+,18-,19+,20+,25+,26-/m1/s1
InChIKey VVHWPQZATYFFCS-RBAIKAGWSA-N
Mol Weight 636.6 g/mol
Molecular Formula C29H37F9O5
Exact Mass 636.249728 g/mol
Enantiomer InChIKey VVHWPQZATYFFCS-HPLJJHTHSA-N

View Spectrum of [2,2,2-trifluoro-1-(trifluoromethyl)ethyl] (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-12-oxo-3-(2,2,2-trifluoroacetyl)oxy-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SRH-2022-1876-0

View Spectrum of [2,2,2-trifluoro-1-(trifluoromethyl)ethyl] (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-12-oxo-3-(2,2,2-trifluoroacetyl)oxy-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum RCM-11-1287-Table 2, cpd 4
  • Hexafluoroisopropyl 3.alpha.-trifluoroacetoxy-12-oxo-5.beta.-cholan-24-oate
Cholan-24-oic acid, 3-(acetyloxy)-12-oxo-, methyl ester, (3.alpha.,5.beta.)-
3alpha-HYDROXY-12-OXO-5beta-CHOLAN-24-OIC ACID, METHYL ESTER, ACETATE
3A-ACETOXY-12-OXO-5B-CHOLAN-24-OATE
7,12-Dioxo-3α-hydroxy-5β-chloan-24-oic acid, methyl ester, ethyl carbonate
N,N-DIMETHYL-3-ACETOXY-12-OXO-7-DEOXY-CHOLIC-AMIDE
cholan-24-oic acid, 3-(benzoyloxy)-12-oxo-, methyl ester, (3alpha)-
Methyl 3.alpha.-Benzoyloxy-12-keto-5.beta.-cholan-24-oate
Cholan-12-one, 3-(acetyloxy)-, (3.alpha.,5.beta.)-
Pregnan-12-one, 3-(acetyloxy)-20-hexyl-, (3.alpha.)-
Ergostan-12-one, 3-(acetyloxy)-, (3.beta.)-
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