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3-.beta.-tert-Butyldiphenylsiloxy-24-(2,2-dimethylpropyl)-22-oxy-chol-5-en-24-carboxylic acid ethyl ester
SpectraBase Compound ID GoPuEfT1rlo
InChI InChI=1S/C48H72O4Si/c1-11-51-44(50)34(32-45(3,4)5)30-43(49)33(2)40-24-25-41-39-23-22-35-31-36(26-28-47(35,9)42(39)27-29-48(40,41)10)52-53(46(6,7)8,37-18-14-12-15-19-37)38-20-16-13-17-21-38/h12-22,33-34,36,39-43,49H,11,23-32H2,1-10H3/t33-,34?,36-,39-,40+,41-,42-,43?,47-,48+/m0/s1
InChIKey YBCYQXKSBIMFHI-RMYQUVNCSA-N
Mol Weight 741.2 g/mol
Molecular Formula C48H72O4Si
Exact Mass 740.519987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fxp7tL4gBdp
Name 3-.beta.-tert-Butyldiphenylsiloxy-24-(2,2-dimethylpropyl)-22-oxy-chol-5-en-24-carboxylic acid ethyl ester
Alternate Name(s) 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-(2,2-dimethylpropyl)-4-hydroxyhexanoate
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Formula C48H72O4Si
InChI InChI=1S/C48H72O4Si/c1-11-51-44(50)34(32-45(3,4)5)30-43(49)33(2)40-24-25-41-39-23-22-35-31-36(26-28-47(35,9)42(39)27-29-48(40,41)10)52-53(46(6,7)8,37-18-14-12-15-19-37)38-20-16-13-17-21-38/h12-22,33-34,36,39-43,49H,11,23-32H2,1-10H3/t33-,34?,36-,39-,40+,41-,42-,43?,47-,48+/m0/s1
InChIKey YBCYQXKSBIMFHI-RMYQUVNCSA-N
Molecular Weight 741.185 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)C
SPLASH splash10-0002-0900001000-bd39807b5aed68692985
Source of Spectrum K-2001-180-25
Wiley ID 1578466