John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=6Kl7nvk39Fm

(accessed ).
3-ACETOXY-METHYL-5-BETA-CHOL-5(6)-ENOATE
SpectraBase Compound ID 6Kl7nvk39Fm
InChI InChI=1S/C27H42O4/c1-17(6-11-25(29)30-5)22-9-10-23-21-8-7-19-16-20(31-18(2)28)12-14-26(19,3)24(21)13-15-27(22,23)4/h7,17,20-24H,6,8-16H2,1-5H3/t17-,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey FDKJNVMJOZNFQP-XCFZJUKMSA-N
Mol Weight 430.6 g/mol
Molecular Formula C27H42O4
Exact Mass 430.30831 g/mol
Enantiomer InChIKey FDKJNVMJOZNFQP-COVOLBBQSA-N
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Source of Sample T. Iida, Nihon University, Fukushima, Japan J. Goto and T. Nambara, Tohoku University, Sendai, Japan Magn. Reson. Chem. 31, 421(1993)
Solvent Chloroform-d; Reference=TMS; Temperature=25C Spectrometer= Jeol FX-90Q
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2020-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum W6-34853-30683-0
  • 3β-hydroxychol-5-en-24-oic acid, methyl ester, acetate
  • CHOL-5-EN-24-OIC ACID, 3beta-HYDROXY-, METHYL ESTER, ACETATE
  • (4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester
Title Journal or Book Year
Carbon-13 NMR spectra of bile acid derivatives. Part III. Unsaturated 5β-cholanoic acids Magnetic Resonance in Chemistry 1993
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