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3-.beta.-tert-Butyldiphenylsiloxy-24-propyl-22-oxy-chol-5-en-24-carboxylic acid ethyl ester
SpectraBase Compound ID KkVbuBRzlGh
InChI InChI=1S/C46H68O4Si/c1-9-17-33(43(48)49-10-2)30-42(47)32(3)39-24-25-40-38-23-22-34-31-35(26-28-45(34,7)41(38)27-29-46(39,40)8)50-51(44(4,5)6,36-18-13-11-14-19-36)37-20-15-12-16-21-37/h11-16,18-22,32-33,35,38-42,47H,9-10,17,23-31H2,1-8H3/t32-,33?,35-,38-,39+,40-,41-,42?,45-,46+/m0/s1
InChIKey YTPHVHNYWILJGC-SQGXQKJXSA-N
Mol Weight 713.1 g/mol
Molecular Formula C46H68O4Si
Exact Mass 712.488687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KblquaFmOhM
Name 3-.beta.-tert-Butyldiphenylsiloxy-24-propyl-22-oxy-chol-5-en-24-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H68O4Si
InChI InChI=1S/C46H68O4Si/c1-9-17-33(43(48)49-10-2)30-42(47)32(3)39-24-25-40-38-23-22-34-31-35(26-28-45(34,7)41(38)27-29-46(39,40)8)50-51(44(4,5)6,36-18-13-11-14-19-36)37-20-15-12-16-21-37/h11-16,18-22,32-33,35,38-42,47H,9-10,17,23-31H2,1-8H3/t32-,33?,35-,38-,39+,40-,41-,42?,45-,46+/m0/s1
InChIKey YTPHVHNYWILJGC-SQGXQKJXSA-N
Molecular Weight 713.131 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)CCC
SPLASH splash10-0002-0900301000-34ce372d8dcb991e8ad9
Source of Spectrum K-2001-180-23
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]-4-hydroxy-2-propylhexanoate
Wiley ID 1578469