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3,12-DIHYDROXY-METHYL-5-BETA-CHOL-8(14)-ENOATE

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3,12-DIHYDROXY-METHYL-5-BETA-CHOL-8(14)-ENOATE
SpectraBase Compound ID Cz8SndMLvt8
InChI InChI=1S/C25H40O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-17,19,21-22,26-27H,5-14H2,1-4H3/t15-,16-,17-,19-,21+,22+,24+,25-/m1/s1
InChIKey PKQYZGMJGFTLCT-GFJNHLOESA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3zd7rV16FpY
Name 3α,12α-dihydroxy-5β-chol-8(14)-en-24-oic acid, methyl ester
Source of Sample T. Iida, Nihon University, Fukushima, Japan J. Goto and T. Nambara, Tohoku University, Sendai, Japan Magn. Reson. Chem. 31, 421(1993)
Comments Tentative assignment; Intensities undefined
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-17,19,21-22,26-27H,5-14H2,1-4H3/t15-,16-,17-,19-,21+,22+,24+,25-/m1/s1
InChIKey PKQYZGMJGFTLCT-GFJNHLOESA-N
Molecular Weight 404.60
Solvent Chloroform-d; Reference=TMS; Temperature=25C Spectrometer= Jeol FX-90Q
Synonyms 5beta-CHOL-8(14)-EN-24-OIC ACID, 3alpha,12alpha-DIHYDROXY-, METHYL ESTER