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3.beta.,20.beta.-Diacetoxy-6-oxa-5.alpha.-pregnane

View entire compound with spectra: 1 MS (GC)

3.beta.,20.beta.-Diacetoxy-6-oxa-5.alpha.-pregnane
SpectraBase Compound ID Gu8f66ujgWI
InChI InChI=1S/C24H38O5/c1-14(28-15(2)25)19-6-7-20-18-13-27-22-12-17(29-16(3)26)8-10-24(22,5)21(18)9-11-23(19,20)4/h14,17-22H,6-13H2,1-5H3/t14-,17-,18-,19+,20-,21-,22-,23+,24+/m0/s1
InChIKey PMEYXTDQGIJMIX-JTNBARGFSA-N
Mol Weight 406.6 g/mol
Molecular Formula C24H38O5
Exact Mass 406.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6dD2CmI6v9G
Name 3.beta.,20.beta.-Diacetoxy-6-oxa-5.alpha.-pregnane
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H38O5
InChI InChI=1S/C24H38O5/c1-14(28-15(2)25)19-6-7-20-18-13-27-22-12-17(29-16(3)26)8-10-24(22,5)21(18)9-11-23(19,20)4/h14,17-22H,6-13H2,1-5H3/t14-,17-,18-,19+,20-,21-,22-,23+,24+/m0/s1
InChIKey PMEYXTDQGIJMIX-JTNBARGFSA-N
Molecular Weight 406.563 g/mol
SMILES [C@@]12([C@]([C@@]3(CO[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](OC(=O)C)(C)[H])[H])[H])C
SPLASH splash10-0002-0009000000-6a118c3b7c0cec711ccf
Source of Spectrum J-61-6676-8
Synonyms (1S)-1-[(1S,3aS,3bS,5aS,7S,9aR,9bS,11aS)-7-(acetyloxy)-9a,11a-dimethylhexadecahydroindeno[4,5-c]chromen-1-yl]ethyl acetate acetic acid[(1S,3aS,3bS,5aS,7S,9aR,9bS,11aS)-1-[(1S)-1-acetoxyethyl]-9a,11a-dimethyl-1,2,3,3a,3b,4,5a,6,7,8,9,9b,10,11-tetradecahydroindeno[4,5-c]chromen-7-yl]ester acetic acid[(1S,3aS,3bS,5aS,7S,9aR,9bS,11aS)-1-[(1S)-1-acetyloxyethyl]-9a,11a-dimethyl-1,2,3,3a,3b,4,5a,6,7,8,9,9b,10,11-tetradecahydroindeno[4,5-c][1]benzopyran-7-yl]ester [(1S,3aS,3bS,5aS,7S,9aR,9bS,11aS)-1-[(1S)-1-acetoxyethyl]-9a,11a-dimethyl-1,2,3,3a,3b,4,5a,6,7,8,9,9b,10,11-tetradecahydroindeno[4,5-c]chromen-7-yl]acetate [(1S,3aS,3bS,5aS,7S,9aR,9bS,11aS)-1-[(1S)-1-acetyloxyethyl]-9a,11a-dimethyl-1,2,3,3a,3b,4,5a,6,7,8,9,9b,10,11-tetradecahydroindeno[4,5-c]chromen-7-yl]acetate [(1S,3aS,3bS,5aS,7S,9aR,9bS,11aS)-1-[(1S)-1-acetyloxyethyl]-9a,11a-dimethyl-1,2,3,3a,3b,4,5a,6,7,8,9,9b,10,11-tetradecahydroindeno[4,5-c]chromen-7-yl]ethanoate acetic acid [(1S,3aS,3bS,5aS,7S,9aR,9bS,11aS)-1-[(1S)-1-acetyloxyethyl]-9a,11a-dimethyl-1,2,3,3a,3b,4,5a,6,7,8,9,9b,10,11-tetradecahydroindeno[4,5-c][1]benzopyran-7-yl] ester [(1S,3aS,3bS,5aS,7S,9aR,9bS,11aS)-1-[(1S)-1-acetyloxyethyl]-9a,11a-dimethyl-1,2,3,3a,3b,4,5a,6,7,8,9,9b,10,11-tetradecahydroindeno[4,5-c]chromen-7-yl] acetate [(1S,3aS,3bS,5aS,7S,9aR,9bS,11aS)-1-[(1S)-1-acetoxyethyl]-9a,11a-dimethyl-1,2,3,3a,3b,4,5a,6,7,8,9,9b,10,11-tetradecahydroindeno[4,5-c]chromen-7-yl] acetate [(1S,3aS,3bS,5aS,7S,9aR,9bS,11aS)-1-[(1S)-1-acetyloxyethyl]-9a,11a-dimethyl-1,2,3,3a,3b,4,5a,6,7,8,9,9b,10,11-tetradecahydroindeno[4,5-c]chromen-7-yl] ethanoate
Wiley ID 1372277