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(20S,22R)-3.beta.,16.beta.-Dibutyryloxy-20,22-epoxycholestane

View entire compound with spectra: 1 MS (GC)

(20S,22R)-3.beta.,16.beta.-Dibutyryloxy-20,22-epoxycholestane
SpectraBase Compound ID 2563Hjb9mr7
InChI InChI=1S/C35H58O5/c1-8-10-30(36)38-24-16-18-33(5)23(20-24)13-14-25-26(33)17-19-34(6)27(25)21-28(39-31(37)11-9-2)32(34)35(7)29(40-35)15-12-22(3)4/h22-29,32H,8-21H2,1-7H3/t23?,24-,25+,26-,27-,28-,29+,32-,33-,34-,35+/m0/s1
InChIKey XEBAUZZTWREBGY-LMYQOYSNSA-N
Mol Weight 558.8 g/mol
Molecular Formula C35H58O5
Exact Mass 558.428425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BXSS0CCjatF
Name (20S,22R)-3.beta.,16.beta.-Dibutyryloxy-20,22-epoxycholestane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H58O5
InChI InChI=1S/C35H58O5/c1-8-10-30(36)38-24-16-18-33(5)23(20-24)13-14-25-26(33)17-19-34(6)27(25)21-28(39-31(37)11-9-2)32(34)35(7)29(40-35)15-12-22(3)4/h22-29,32H,8-21H2,1-7H3/t23?,24-,25+,26-,27-,28-,29+,32-,33-,34-,35+/m0/s1
InChIKey XEBAUZZTWREBGY-LMYQOYSNSA-N
Molecular Weight 558.844 g/mol
SMILES [C@]1(CC[C@]2(C(C1)CC[C@]1([C@@]3(C[C@@]([C@]([C@]4([C@@](CCC(C)C)(O4)[H])C)([C@@]3(C)CC[C@]21[H])[H])(OC(=O)CCC)[H])[H])[H])C)(OC(=O)CCC)[H]
SPLASH splash10-00di-9023110000-f1be71f3819994713318
Source of Spectrum J-67-2720-12
Synonyms (3beta,16beta,17beta)-16-(butyryloxy)-17-[(2S,3R)-3-isopentyl-2-methyloxiranyl]androstan-3-yl butyrate Butanoic acid[(3S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-17-[(2S,3R)-2-methyl-3-(3-methylbutyl)-2-oxiranyl]-16-(1-oxobutoxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]ester Butyric acid[(3S,8R,9S,10S,13S,14S,16S,17R)-16-butyryloxy-17-[(2S,3R)-3-isoamyl-2-methyl-oxiran-2-yl]-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 [(3S,8R,9S,10S,13S,14S,16S,17R)-16-butanoyloxy-10,13-dimethyl-17-[(2S,3R)-2-methyl-3-(3-methylbutyl)oxiran-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]butanoate [(3S,8R,9S,10S,13S,14S,16S,17R)-16-butanoyloxy-17-[(2S,3R)-3-isopentyl-2-methyl-oxiran-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]butanoate Butanoic acid [(3S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-17-[(2S,3R)-2-methyl-3-(3-methylbutyl)-2-oxiranyl]-16-(1-oxobutoxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,8R,9S,10S,13S,14S,16S,17R)-16-butanoyloxy-17-[(2S,3R)-3-isopentyl-2-methyl-oxiran-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] butanoate [(3S,8R,9S,10S,13S,14S,16S,17R)-16-butanoyloxy-10,13-dimethyl-17-[(2S,3R)-2-methyl-3-(3-methylbutyl)oxiran-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] butanoate
Wiley ID 1569490