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6a-(1-Hydroxy-1-methyl-ethyl)-deoxy-cholic acid
SpectraBase Compound ID 3R5W5yRnE62
InChI InChI=1S/C27H46O5/c1-15(6-9-24(30)31)18-7-8-19-17-13-21(25(2,3)32)22-12-16(28)10-11-26(22,4)20(17)14-23(29)27(18,19)5/h15-23,28-29,32H,6-14H2,1-5H3,(H,30,31)
InChIKey OJQVBLUOLHRWKU-UHFFFAOYSA-N
Mol Weight 450.7 g/mol
Molecular Formula C27H46O5
Exact Mass 450.334525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ZuELgYDZWI
Name 6b-(1-Hydroxy-1-methyl-ethyl)-deoxy-cholic acid
CAS Registry Number 66014-23-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H46O5
InChI InChI=1S/C27H46O5/c1-15(6-9-24(30)31)18-7-8-19-17-13-21(25(2,3)32)22-12-16(28)10-11-26(22,4)20(17)14-23(29)27(18,19)5/h15-23,28-29,32H,6-14H2,1-5H3,(H,30,31)
InChIKey OJQVBLUOLHRWKU-UHFFFAOYSA-N
Literature Reference M. Lahan, L. Leiserowitz, R. Popovitz, J. Am. Chem. Soc. 100, 2542 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD3OD