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3a,7a-Dihydroxy-5b,14a,17b-cholanic acid

View entire compound with spectra: 5 NMR, and 5 MS (GC)

3a,7a-Dihydroxy-5b,14a,17b-cholanic acid
SpectraBase Compound ID 5swRDFA7bMS
InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)
InChIKey RUDATBOHQWOJDD-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 6jria6JzHby
Name 3a,7a-Dihydroxy-5b,14a,17b-cholanic acid
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C24H40O4
InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)
InChIKey RUDATBOHQWOJDD-UHFFFAOYSA-N
Instrument Name Bruker AM-300
Literature Reference P.E. Hammann, H. Kluge, G.G. Habermehl, Magn. Res. Chem. 29, 133 (1991).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3