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3-ACETOXY-METHYL-5-BETA-CHOL-5(6)-ENOATE

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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5VP35WhhSZM
Name 3β-hydroxychol-5-en-24-oic acid, methyl ester, acetate
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 C27H42O4
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
Molecular Weight 430.63
Solvent Chloroform-d; Reference=TMS; Temperature=25C Spectrometer= Jeol FX-90Q
Synonyms CHOL-5-EN-24-OIC ACID, 3beta-HYDROXY-, METHYL ESTER, ACETATE