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(22S)-3.beta.-tert-Butyldiphenylsiloxy-24-methylene-22-oxy-chol-5-ene-24-carboxylic acid ethyl ester
SpectraBase Compound ID EvD8ct50OUR
InChI InChI=1S/C44H62O4Si/c1-9-47-41(46)29(2)26-40(45)30(3)37-20-21-38-36-19-18-32-27-33(22-24-43(32,7)39(36)23-25-44(37,38)8)48-49(34-15-11-10-12-16-34)35-17-13-14-31(28-35)42(4,5)6/h10-18,28,30,33,36-40,45,49H,2,9,19-27H2,1,3-8H3/t30-,33-,36-,37+,38-,39-,40-,43-,44+,49?/m0/s1
InChIKey VBYKWRDPGSTUKV-RWNMBRQKSA-N
Mol Weight 683.1 g/mol
Molecular Formula C44H62O4Si
Exact Mass 682.441737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FIT85tY9EGi
Name (22S)-3.beta.-tert-Butyldiphenylsiloxy-24-methylene-22-oxy-chol-5-ene-24-carboxylic acid ethyl ester
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Formula C44H62O4Si
InChI InChI=1S/C44H62O4Si/c1-9-47-41(46)29(2)26-40(45)30(3)37-20-21-38-36-19-18-32-27-33(22-24-43(32,7)39(36)23-25-44(37,38)8)48-49(34-15-11-10-12-16-34)35-17-13-14-31(28-35)42(4,5)6/h10-18,28,30,33,36-40,45,49H,2,9,19-27H2,1,3-8H3/t30-,33-,36-,37+,38-,39-,40-,43-,44+,49?/m0/s1
InChIKey VBYKWRDPGSTUKV-RWNMBRQKSA-N
Molecular Weight 683.061 g/mol
SMILES [SiH](O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@@]([C@@]([C@](CC(C(=O)OCC)=C)(O)[H])(C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C)[H])(c1cc(C(C)(C)C)ccc1)c1ccccc1
SPLASH splash10-002b-0900772000-a98b6435379b7558f47b
Source of Spectrum K-2001-178-6
Synonyms 3-tert-Butyldiphenylsiloxy-24-methylene-22-oxy-chol-5-ene-24-carboxylic acid ethyl ester Ethyl 2-[(2S,3S)-3-((3S,8S,9S,10R,13S,14S,17R)-3-{[(3-tert-butylphenyl)(phenyl)silyl]oxy}-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxybutyl]acrylate
Wiley ID 1578373