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Cholan-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3.alpha.,7.alpha.)-

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Cholan-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3.alpha.,7.alpha.)-
SpectraBase Compound ID J5BoxVEgByM
InChI InChI=1S/C29H46O6/c1-17(7-10-26(32)33-6)22-8-9-23-27-24(12-14-29(22,23)5)28(4)13-11-21(34-18(2)30)15-20(28)16-25(27)35-19(3)31/h17,20-25,27H,7-16H2,1-6H3
InChIKey ZKHVKSAMEUAGEN-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 LmQ7Nnm9IZ3
Name Methyl 3a,7a-bisacetoxy-5b-cholan-24-oate
CAS Registry Number 2616-71-9
Comments D.LEIBFRITZ,J.D.ROBERT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H46O6
InChI InChI=1S/C29H46O6/c1-17(7-10-26(32)33-6)22-8-9-23-27-24(12-14-29(22,23)5)28(4)13-11-21(34-18(2)30)15-20(28)16-25(27)35-19(3)31/h17,20-25,27H,7-16H2,1-6H3
InChIKey ZKHVKSAMEUAGEN-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