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Methyl 3alpha,7beta-bis(trimethylsiloxy)-5beta-cholan-24-oate
SpectraBase Compound ID 3XKJAIxnwk5
InChI InChI=1S/C31H58O4Si2/c1-21(11-14-28(32)33-4)24-12-13-25-29-26(16-18-31(24,25)3)30(2)17-15-23(34-36(5,6)7)19-22(30)20-27(29)35-37(8,9)10/h21-27,29H,11-20H2,1-10H3/t21-,22+,23-,24-,25+,26+,27+,29+,30+,31-/m1/s1
InChIKey FUVKOFYYHKWFJK-JORVUVBFSA-N
Mol Weight 551.0 g/mol
Molecular Formula C31H58O4Si2
Exact Mass 550.387363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5pn2qICQcQ
Name Methyl 3alpha,7beta-bis(trimethylsiloxy)-5beta-cholan-24-oate
Alternate Name(s) Methyl (3alpha,5beta,7beta)-3,7-bis[(trimethylsilyl)oxy]cholan-24-oate Methyl 3alpha,7.beta.-bis(trimethylsiloxy)-5.beta.-cholan-24-oate (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester Methyl (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
CAS Registry Number 63813-73-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H58O4Si2
InChI InChI=1S/C31H58O4Si2/c1-21(11-14-28(32)33-4)24-12-13-25-29-26(16-18-31(24,25)3)30(2)17-15-23(34-36(5,6)7)19-22(30)20-27(29)35-37(8,9)10/h21-27,29H,11-20H2,1-10H3/t21-,22+,23-,24-,25+,26+,27+,29+,30+,31-/m1/s1
InChIKey FUVKOFYYHKWFJK-JORVUVBFSA-N
Molecular Weight 550.971 g/mol
SMILES [C@@]12([C@]([C@@]3([C@](C[C@]4([C@@]([C@]3(CC2)[H])(CC[C@@](O[Si](C)(C)C)(C4)[H])C)[H])(O[Si](C)(C)C)[H])[H])(CC[C@@]1([C@@](CCC(=O)OC)(C)[H])[H])[H])C
SPLASH splash10-08mi-0096710000-371e427ddbe26441a193
Source of Spectrum W5-1989-36036-29500
Wiley ID 1405746