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Deoxycholic acid, 2tms derivative

View entire compound with spectra: 1 NMR

Deoxycholic acid, 2tms derivative
SpectraBase Compound ID 9rp5rzt7JRg
InChI InChI=1S/C30H56O4Si2/c1-20(10-15-28(31)32)24-13-14-25-23-12-11-21-18-22(33-35(4,5)6)16-17-29(21,2)26(23)19-27(30(24,25)3)34-36(7,8)9/h20-27H,10-19H2,1-9H3,(H,31,32)
InChIKey VILFLYWCBTYORV-UHFFFAOYSA-N
Mol Weight 536.9 g/mol
Molecular Formula C30H56O4Si2
Exact Mass 536.371713 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 18HizRze8l8
Name Deoxycholic acid, 2tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 536.371713349 u
Formula C30H56O4Si2
InChI InChI=1S/C30H56O4Si2/c1-20(10-15-28(31)32)24-13-14-25-23-12-11-21-18-22(33-35(4,5)6)16-17-29(21,2)26(23)19-27(30(24,25)3)34-36(7,8)9/h20-27H,10-19H2,1-9H3,(H,31,32)
InChIKey VILFLYWCBTYORV-UHFFFAOYSA-N
Molecular Weight 536.944 g/mol
SMILES C12(CCC(CC2CCC2C1CC(C1(C2CCC1C(CCC(O)=O)C)C)O[Si](C)(C)C)O[Si](C)(C)C)C