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(20R)-3.beta.,16.beta.-Diacetoxycholestan-20-ol

View entire compound with spectra: 1 MS (GC)

(20R)-3.beta.,16.beta.-Diacetoxycholestan-20-ol
SpectraBase Compound ID GHg4PTkiKOQ
InChI InChI=1S/C31H52O5/c1-19(2)9-8-14-31(7,34)28-27(36-21(4)33)18-26-24-11-10-22-17-23(35-20(3)32)12-15-29(22,5)25(24)13-16-30(26,28)6/h19,22-28,34H,8-18H2,1-7H3/t22?,23-,24+,25-,26-,27-,28-,29-,30-,31+/m0/s1
InChIKey XNPUSKNPLBZFRH-ZHWIOPIZSA-N
Mol Weight 504.8 g/mol
Molecular Formula C31H52O5
Exact Mass 504.381475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3LovRTBe08
Name (20R)-3.beta.,16.beta.-Diacetoxycholestan-20-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H52O5
InChI InChI=1S/C31H52O5/c1-19(2)9-8-14-31(7,34)28-27(36-21(4)33)18-26-24-11-10-22-17-23(35-20(3)32)12-15-29(22,5)25(24)13-16-30(26,28)6/h19,22-28,34H,8-18H2,1-7H3/t22?,23-,24+,25-,26-,27-,28-,29-,30-,31+/m0/s1
InChIKey XNPUSKNPLBZFRH-ZHWIOPIZSA-N
Molecular Weight 504.752 g/mol
SMILES O[C@@]([C@]1([C@](C[C@]2([C@@]3(CCC4C[C@](CC[C@@]4([C@]3(CC[C@]12C)[H])C)(OC(=O)C)[H])[H])[H])(OC(=O)C)[H])[H])(CCCC(C)C)C
SPLASH splash10-066s-0039500000-8ff7d690dd32ec8df8eb
Source of Spectrum J-67-2719-5
Synonyms (3beta,16beta,20R)-16-(acetyloxy)-20-hydroxycholestan-3-yl acetate Acetic acid[(3S,8R,9S,10S,13S,14S,16S,17R)-16-acetoxy-17-[(1R)-1-hydroxy-1,5-dimethyl-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]ester Acetic acid[(3S,8R,9S,10S,13S,14S,16S,17R)-16-acetyloxy-17-[(2R)-2-hydroxy-6-methylheptan-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-acetoxy-17-[(1R)-1-hydroxy-1,5-dimethyl-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]acetate [(3S,8R,9S,10S,13S,14S,16S,17R)-16-acetyloxy-10,13-dimethyl-17-[(2R)-6-methyl-2-oxidanyl-heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]ethanoate [(3S,8R,9S,10S,13S,14S,16S,17R)-16-acetyloxy-17-[(2R)-2-hydroxy-6-methylheptan-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]acetate Acetic acid [(3S,8R,9S,10S,13S,14S,16S,17R)-16-acetyloxy-17-[(2R)-2-hydroxy-6-methylheptan-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-acetyloxy-17-[(2R)-2-hydroxy-6-methylheptan-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] acetate [(3S,8R,9S,10S,13S,14S,16S,17R)-16-acetoxy-17-[(1R)-1-hydroxy-1,5-dimethyl-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] acetate [(3S,8R,9S,10S,13S,14S,16S,17R)-16-acetyloxy-10,13-dimethyl-17-[(2R)-6-methyl-2-oxidanyl-heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
Wiley ID 1569494