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5.beta.-Cholanic acid-7.alpha.,12.alpha.-diol, tri-trimethylsilyl
SpectraBase Compound ID GeXLllXOFjK
InChI InChI=1S/C33H64O4Si3/c1-23(16-19-30(34)37-40(10,11)12)25-17-18-26-31-27(22-29(33(25,26)3)36-39(7,8)9)32(2)20-14-13-15-24(32)21-28(31)35-38(4,5)6/h23-29,31H,13-22H2,1-12H3
InChIKey GWESTVMHLGJPNO-UHFFFAOYSA-N
Mol Weight 609.1 g/mol
Molecular Formula C33H64O4Si3
Exact Mass 608.41124 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K9FG7mXMDuL
Name 5.beta.-Cholanic acid-7.alpha.,12.alpha.-diol, tri-trimethylsilyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 608.411240142 u
Formula C33H64O4Si3
InChI InChI=1S/C33H64O4Si3/c1-23(16-19-30(34)37-40(10,11)12)25-17-18-26-31-27(22-29(33(25,26)3)36-39(7,8)9)32(2)20-14-13-15-24(32)21-28(31)35-38(4,5)6/h23-29,31H,13-22H2,1-12H3
InChIKey GWESTVMHLGJPNO-UHFFFAOYSA-N
Molecular Weight 609.126 g/mol
SMILES C12(CCCCC2CC(C2C1CC(C1(C2CCC1C(CCC(O[Si](C)(C)C)=O)C)C)O[Si](C)(C)C)O[Si](C)(C)C)C