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5-Cholestene-3b,7a-diol TMS derivative
SpectraBase Compound ID LpxWMojFWph
InChI InChI=1S/C33H62O2Si2/c1-23(2)13-12-14-24(3)27-15-16-28-31-29(18-20-33(27,28)5)32(4)19-17-26(34-36(6,7)8)21-25(32)22-30(31)35-37(9,10)11/h22-24,26-31H,12-21H2,1-11H3/t24-,26+,27-,28+,29+,30-,31+,32+,33-/m1/s1
InChIKey OOKKWPKBWGMRMW-QHPXTOJYSA-N
Mol Weight 547.0 g/mol
Molecular Formula C33H62O2Si2
Exact Mass 546.428834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5o9c77jQMA
Name 5-Cholestene-3b,7a-diol TMS derivative
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H62O2Si2
InChI InChI=1S/C33H62O2Si2/c1-23(2)13-12-14-24(3)27-15-16-28-31-29(18-20-33(27,28)5)32(4)19-17-26(34-36(6,7)8)21-25(32)22-30(31)35-37(9,10)11/h22-24,26-31H,12-21H2,1-11H3/t24-,26+,27-,28+,29+,30-,31+,32+,33-/m1/s1
InChIKey OOKKWPKBWGMRMW-QHPXTOJYSA-N
Molecular Weight 547.027 g/mol
SMILES [C@@]12([C@]([C@@]3([C@@](C=C4[C@@]([C@]3(CC2)[H])(CC[C@](O[Si](C)(C)C)(C4)[H])C)(O[Si](C)(C)C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-0udi-0219180000-fc1ad452816b688acdb4
Source of Spectrum JA-4-327-0
Synonyms (3beta,7alpha)-3,7-bis[(trimethylsilyl)oxy]cholest-5-ene (3S,7S,8S,9S,10R,13R,14S,17R)-17-((R)-1,5-Dimethyl-hexyl)-10,13-dimethyl-3,7-bis-trimethylsilanyloxy-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
Wiley ID 1405312