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3-HYDROXY-METHYL-5-BETA-CHOL-8(14)-ENOATE

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3-HYDROXY-METHYL-5-BETA-CHOL-8(14)-ENOATE
SpectraBase Compound ID IjSIuRusEfW
InChI InChI=1S/C25H40O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h16-18,20,22,26H,5-15H2,1-4H3/t16-,17-,18-,20-,22+,24+,25-/m1/s1
InChIKey WADGWZFCOJJOCI-GXCLZSIHSA-N
Mol Weight 388.6 g/mol
Molecular Formula C25H40O3
Exact Mass 388.297745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BeZZtTvPEzo
Name 3α-hydroxy-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 Intensities undefined
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O3
InChI InChI=1S/C25H40O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h16-18,20,22,26H,5-15H2,1-4H3/t16-,17-,18-,20-,22+,24+,25-/m1/s1
InChIKey WADGWZFCOJJOCI-GXCLZSIHSA-N
Molecular Weight 388.60
Solvent Chloroform-d; Reference=TMS; Temperature=25C Spectrometer= Jeol FX-90Q
Synonyms 5beta-CHOL-8(14)-EN-24-OIC ACID, 3alpha-HYDROXY-, METHYL ESTER