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(3a,5b,12A)-3,12-Dihydroxy-6-(1-methyl-ethylidene) cholanoic acid

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(3a,5b,12A)-3,12-Dihydroxy-6-(1-methyl-ethylidene) cholanoic acid
SpectraBase Compound ID AM0tk4MsRvZ
InChI InChI=1S/C27H44O4/c1-15(2)18-13-19-21-8-7-20(16(3)6-9-25(30)31)27(21,5)24(29)14-23(19)26(4)11-10-17(28)12-22(18)26/h16-17,19-24,28-29H,6-14H2,1-5H3,(H,30,31)
InChIKey HLPLDASBDZBUCS-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H9nBG6yEXva
Name (3a,5b,12A)-3,12-Dihydroxy-6-(1-methyl-ethylidene) cholanoic acid
CAS Registry Number 66014-20-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-15(2)18-13-19-21-8-7-20(16(3)6-9-25(30)31)27(21,5)24(29)14-23(19)26(4)11-10-17(28)12-22(18)26/h16-17,19-24,28-29H,6-14H2,1-5H3,(H,30,31)
InChIKey HLPLDASBDZBUCS-UHFFFAOYSA-N
Literature Reference R. Popovitz-Biro, C.P. Tang, H.C.Chang, J. Am. Chem. Soc. 107, 4043 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD3COOD