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7,12-DIHYDROXY-METHYL-5-BETA-CHOL-2-ENOATE

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7,12-DIHYDROXY-METHYL-5-BETA-CHOL-2-ENOATE
SpectraBase Compound ID 4Rxvol285xQ
InChI InChI=1S/C25H40O4/c1-15(8-11-22(28)29-4)17-9-10-18-23-19(14-21(27)25(17,18)3)24(2)12-6-5-7-16(24)13-20(23)26/h5-6,15-21,23,26-27H,7-14H2,1-4H3/t15-,16+,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1
InChIKey WORLYKPLNOTUAH-KGFCUSQPSA-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 EqvHu2l1FqS
Name 7α,12α-dihydroxy-5β-chol-2-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 C25H40O4
InChI InChI=1S/C25H40O4/c1-15(8-11-22(28)29-4)17-9-10-18-23-19(14-21(27)25(17,18)3)24(2)12-6-5-7-16(24)13-20(23)26/h5-6,15-21,23,26-27H,7-14H2,1-4H3/t15-,16+,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1
InChIKey WORLYKPLNOTUAH-KGFCUSQPSA-N
Molecular Weight 404.60
Solvent Chloroform-d; Reference=TMS; Temperature=25C Spectrometer= Jeol FX-90Q
Synonyms 5beta-CHOL-2-EN-24-OIC ACID, 7alpha,12alpha-DIHYDROXY-, METHYL ESTER