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(22S)-3.beta.,16.beta.-Dibutyryloxycholest-20-en-22-ol

View entire compound with spectra: 1 MS (GC)

(22S)-3.beta.,16.beta.-Dibutyryloxycholest-20-en-22-ol
SpectraBase Compound ID Kjk84q03n03
InChI InChI=1S/C35H58O5/c1-8-10-31(37)39-25-16-18-34(6)24(20-25)13-14-26-27(34)17-19-35(7)28(26)21-30(40-32(38)11-9-2)33(35)23(5)29(36)15-12-22(3)4/h22,24-30,33,36H,5,8-21H2,1-4,6-7H3/t24?,25-,26+,27-,28-,29-,30-,33-,34-,35-/m0/s1
InChIKey GODQXMRECWROQU-GTVXSALISA-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 LDX9tSrBpxU
Name (22S)-3.beta.,16.beta.-Dibutyryloxycholest-20-en-22-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H58O5
InChI InChI=1S/C35H58O5/c1-8-10-31(37)39-25-16-18-34(6)24(20-25)13-14-26-27(34)17-19-35(7)28(26)21-30(40-32(38)11-9-2)33(35)23(5)29(36)15-12-22(3)4/h22,24-30,33,36H,5,8-21H2,1-4,6-7H3/t24?,25-,26+,27-,28-,29-,30-,33-,34-,35-/m0/s1
InChIKey GODQXMRECWROQU-GTVXSALISA-N
Molecular Weight 558.844 g/mol
SMILES O[C@](C([C@]1([C@](C[C@]2([C@@]3(CCC4C[C@](CC[C@@]4([C@]3(CC[C@]12C)[H])C)(OC(=O)CCC)[H])[H])[H])(OC(=O)CCC)[H])[H])=C)(CCC(C)C)[H]
SPLASH splash10-00di-2112910000-249944a6e53d0996e79a
Source of Spectrum J-67-2720-20
Synonyms (3beta,16beta,22S)-16-(butyryloxy)-22-hydroxycholest-20-en-3-yl butyrate Butanoic acid[(3S,8R,9S,10S,13S,14S,16S,17S)-17-[(3S)-3-hydroxy-6-methylhept-1-en-2-yl]-10,13-dimethyl-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,17S)-16-butyryloxy-17-[1-[(1S)-1-hydroxy-4-methyl-pentyl]vinyl]-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,17S)-16-butanoyloxy-10,13-dimethyl-17-[(3S)-6-methyl-3-oxidanyl-hept-1-en-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,17S)-16-butanoyloxy-17-[(2S)-2-hydroxy-5-methyl-1-methylene-hexyl]-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,17S)-16-butanoyloxy-17-[(3S)-3-hydroxy-6-methylhept-1-en-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,17S)-17-[(3S)-3-hydroxy-6-methylhept-1-en-2-yl]-10,13-dimethyl-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,17S)-16-butanoyloxy-17-[(3S)-3-hydroxy-6-methylhept-1-en-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,17S)-16-butanoyloxy-17-[(2S)-2-hydroxy-5-methyl-1-methylene-hexyl]-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,17S)-16-butanoyloxy-10,13-dimethyl-17-[(3S)-6-methyl-3-oxidanyl-hept-1-en-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 1569487