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syn-3-.beta.-tert-Butyldiphenylsiloxy-24-ethyl-22-oxy-chol-5-en-24-carboxylic acid ethyl ester
SpectraBase Compound ID JFsU1qc8G01
InChI InChI=1S/C45H66O4Si/c1-9-32(42(47)48-10-2)29-41(46)31(3)38-23-24-39-37-22-21-33-30-34(25-27-44(33,7)40(37)26-28-45(38,39)8)49-50(43(4,5)6,35-17-13-11-14-18-35)36-19-15-12-16-20-36/h11-21,31-32,34,37-41,46H,9-10,22-30H2,1-8H3/t31-,32?,34-,37-,38+,39-,40-,41?,44-,45+/m0/s1
InChIKey UFQJKSNBQGQNHA-RUDHUTPBSA-N
Mol Weight 699.1 g/mol
Molecular Formula C45H66O4Si
Exact Mass 698.473037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6OAqsT9BKze
Name syn-3-.beta.-tert-Butyldiphenylsiloxy-24-ethyl-22-oxy-chol-5-en-24-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H66O4Si
InChI InChI=1S/C45H66O4Si/c1-9-32(42(47)48-10-2)29-41(46)31(3)38-23-24-39-37-22-21-33-30-34(25-27-44(33,7)40(37)26-28-45(38,39)8)49-50(43(4,5)6,35-17-13-11-14-18-35)36-19-15-12-16-20-36/h11-21,31-32,34,37-41,46H,9-10,22-30H2,1-8H3/t31-,32?,34-,37-,38+,39-,40-,41?,44-,45+/m0/s1
InChIKey UFQJKSNBQGQNHA-RUDHUTPBSA-N
Molecular Weight 699.104 g/mol
SMILES OC([C@]([C@@]1([C@@]2([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O[Si](C(C)(C)C)(c2ccccc2)c2ccccc2)(C4)[H])C)[H])(CC1)[H])C)[H])(C)[H])CC(C(=O)OCC)CC
SPLASH splash10-0002-0900420000-68d20a7ad836d9ead889
Source of Spectrum K-2001-179-22
Synonyms Ethyl (5S)-5-[(1S,2R,5S,10S,11S,14R,15S)-5-[(tert-butyldiphenylsilyl)oxy]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-14-yl]-2-ethyl-4-hydroxyhexanoate
Wiley ID 1578470