For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Deoxycholic acid, methyl ester, dimethyl ether

View entire compound with spectra: 1 NMR

Deoxycholic acid, methyl ester, dimethyl ether
SpectraBase Compound ID AtAshZiYMhj
InChI InChI=1S/C27H46O4/c1-17(7-12-25(28)31-6)21-10-11-22-20-9-8-18-15-19(29-4)13-14-26(18,2)23(20)16-24(30-5)27(21,22)3/h17-24H,7-16H2,1-6H3
InChIKey PEIXTUPGMLWORD-UHFFFAOYSA-N
Mol Weight 434.7 g/mol
Molecular Formula C27H46O4
Exact Mass 434.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CgIbbn8DXCW
Name Deoxycholic acid, methyl ester, dimethyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.339609957 u
Formula C27H46O4
InChI InChI=1S/C27H46O4/c1-17(7-12-25(28)31-6)21-10-11-22-20-9-8-18-15-19(29-4)13-14-26(18,2)23(20)16-24(30-5)27(21,22)3/h17-24H,7-16H2,1-6H3
InChIKey PEIXTUPGMLWORD-UHFFFAOYSA-N
Molecular Weight 434.661 g/mol
SMILES C12(CCC(CC2CCC2C1CC(C1(C2CCC1C(CCC(OC)=O)C)C)OC)OC)C