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anti-3-.beta.-tert-Butyldiphenylsiloxy-24-isobutyl-22-oxy-chol-5-en-24-carboxylic acid ethyl ester
SpectraBase Compound ID 1MPkg6GtnxY
InChI InChI=1S/C47H70O4Si/c1-10-50-44(49)34(29-32(2)3)30-43(48)33(4)40-23-24-41-39-22-21-35-31-36(25-27-46(35,8)42(39)26-28-47(40,41)9)51-52(45(5,6)7,37-17-13-11-14-18-37)38-19-15-12-16-20-38/h11-21,32-34,36,39-43,48H,10,22-31H2,1-9H3/t33-,34?,36-,39-,40+,41-,42-,43?,46-,47+/m0/s1
InChIKey CAUSJTOKJMOHMX-DVDWCOSXSA-N
Mol Weight 727.2 g/mol
Molecular Formula C47H70O4Si
Exact Mass 726.504337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RUVzPP8twB
Name anti-3-.beta.-tert-Butyldiphenylsiloxy-24-isobutyl-22-oxy-chol-5-en-24-carboxylic acid ethyl ester
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Formula C47H70O4Si
InChI InChI=1S/C47H70O4Si/c1-10-50-44(49)34(29-32(2)3)30-43(48)33(4)40-23-24-41-39-22-21-35-31-36(25-27-46(35,8)42(39)26-28-47(40,41)9)51-52(45(5,6)7,37-17-13-11-14-18-37)38-19-15-12-16-20-38/h11-21,32-34,36,39-43,48H,10,22-31H2,1-9H3/t33-,34?,36-,39-,40+,41-,42-,43?,46-,47+/m0/s1
InChIKey CAUSJTOKJMOHMX-DVDWCOSXSA-N
Molecular Weight 727.158 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(C)C
SPLASH splash10-0002-0900202000-8da46269b91a2bdf0bac
Source of Spectrum K-2001-180-24
Synonyms syn-3-.beta.-tert-Butyldiphenylsiloxy-24-isobutyl-22-oxy-chol-5-en-24-carboxylic acid ethyl ester 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-(2-methylpropyl)hexanoate
Wiley ID 1578468