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Pregnan-20-one, 3,7-bis(acetyloxy)-, (3.alpha.,5.beta.,7.alpha.)-

View entire compound with spectra: 2 MS (GC)

Pregnan-20-one, 3,7-bis(acetyloxy)-, (3.alpha.,5.beta.,7.alpha.)-
SpectraBase Compound ID FV6yFjdZnsl
InChI InChI=1S/C25H38O5/c1-14(26)19-6-7-20-23-21(9-11-25(19,20)5)24(4)10-8-18(29-15(2)27)12-17(24)13-22(23)30-16(3)28/h17-23H,6-13H2,1-5H3/t17-,18+,19+,20-,21-,22+,23-,24-,25+/m0/s1
InChIKey IZKRAFHIQOCMKY-WYJASAKJSA-N
Mol Weight 418.6 g/mol
Molecular Formula C25H38O5
Exact Mass 418.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8bp2eeNNxhO
Name Pregnan-20-one, 3,7-bis(acetyloxy)-, (3.alpha.,5.beta.,7.alpha.)-
Alternate Name(s) (3.alpha.,5.beta.,7.alpha.)-3,7-bis(acetyloxy)pregnan-20-one (3alpha,5beta,7alpha)-3-(acetyloxy)-20-oxopregnan-7-yl acetate 3.alpha.,7.alpha.-dihydroxy-5.beta.-pregnan-20-one diacetate Acetic acid[(3R,5S,7R,8R,9S,10S,13S,14S,17S)-17-acetyl-7-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]ester Acetic acid[(3R,5S,7R,8R,9S,10S,13S,14S,17S)-7-acetoxy-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]ester [(3R,5S,7R,8R,9S,10S,13S,14S,17S)-17-acetyl-7-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate [(3R,5S,7R,8R,9S,10S,13S,14S,17S)-7-acetoxy-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate [(3R,5S,7R,8R,9S,10S,13S,14S,17S)-7-acetyloxy-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]ethanoate Acetic acid [(3R,5S,7R,8R,9S,10S,13S,14S,17S)-17-acetyl-7-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3R,5S,7R,8R,9S,10S,13S,14S,17S)-17-acetyl-7-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3R,5S,7R,8R,9S,10S,13S,14S,17S)-7-acetoxy-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3R,5S,7R,8R,9S,10S,13S,14S,17S)-7-acetyloxy-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
CAS Registry Number 72050-01-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O5
InChI InChI=1S/C25H38O5/c1-14(26)19-6-7-20-23-21(9-11-25(19,20)5)24(4)10-8-18(29-15(2)27)12-17(24)13-22(23)30-16(3)28/h17-23H,6-13H2,1-5H3/t17-,18+,19+,20-,21-,22+,23-,24-,25+/m0/s1
InChIKey IZKRAFHIQOCMKY-WYJASAKJSA-N
Molecular Weight 418.574 g/mol
SMILES [C@@]12([C@]([C@@]3([C@@](C[C@]4([C@@]([C@]3(CC2)[H])(CC[C@@](OC(=O)C)(C4)[H])C)[H])(OC(=O)C)[H])[H])(CC[C@@]1(C(=O)C)[H])[H])C
SPLASH splash10-0006-9030000000-9eac4fca8d1bf0164848
Source of Spectrum H-69-1848-4
Wiley ID 1377318