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Desoxycholic acid, methyl ester diacetate
SpectraBase Compound ID 5xXJqOFPsPE
InChI InChI=1S/C29H46O6/c1-17(7-12-27(32)33-6)23-10-11-24-22-9-8-20-15-21(34-18(2)30)13-14-28(20,4)25(22)16-26(29(23,24)5)35-19(3)31/h17,20-26H,7-16H2,1-6H3
InChIKey DESKMGPXRKEZPC-UHFFFAOYSA-N
Mol Weight 490.7 g/mol
Molecular Formula C29H46O6
Exact Mass 490.329439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 50oV5d5dz6w
Name Desoxycholic acid, methyl ester diacetate
CAS Registry Number 56085-33-7
Comments D.LEIBFRIT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H46O6
InChI InChI=1S/C29H46O6/c1-17(7-12-27(32)33-6)23-10-11-24-22-9-8-20-15-21(34-18(2)30)13-14-28(20,4)25(22)16-26(29(23,24)5)35-19(3)31/h17,20-26H,7-16H2,1-6H3
InChIKey DESKMGPXRKEZPC-UHFFFAOYSA-N
Literature Reference J.W. Blunt, J.B. Stothers, Org. Magn. Resonance 9, 439 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Dioxane