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3a,12a-Dihydroxy-5b-cholan-24-oic acid

View entire compound with spectra: 9 NMR, and 7 MS (GC)

3a,12a-Dihydroxy-5b-cholan-24-oic acid
SpectraBase Compound ID JF2iXwjHogg
InChI InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)
InChIKey KXGVEGMKQFWNSR-UHFFFAOYSA-N
Mol Weight 392.6 g/mol
Molecular Formula C24H40O4
Exact Mass 392.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9nUpffdLBqq
Name 3a,12a-Dihydroxy-5b-cholan-24-oic acid
CAS Registry Number 83-44-3
Comments D.LEIBFRI
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C24H40O4
InChI InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)
InChIKey KXGVEGMKQFWNSR-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 CH3OH