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3-ACETOXY-7-HYDROXY-METHYL-5-BETA-CHOL-5(6)-ENOATE

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3-ACETOXY-7-HYDROXY-METHYL-5-BETA-CHOL-5(6)-ENOATE
SpectraBase Compound ID 9d1S5eIG4zB
InChI InChI=1S/C27H42O5/c1-16(6-9-24(30)31-5)20-7-8-21-25-22(11-13-27(20,21)4)26(3)12-10-19(32-17(2)28)14-18(26)15-23(25)29/h15-16,19-23,25,29H,6-14H2,1-5H3/t16-,19+,20-,21+,22+,23+,25+,26+,27-/m1/s1
InChIKey UMBOAZAPHYERNA-IKLQUBQNSA-N
Mol Weight 446.6 g/mol
Molecular Formula C27H42O5
Exact Mass 446.303224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EbIXwXRZOgK
Name 3β,7β-dihydroxychol-5-en-24-oic acid, methyl ester, 3-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, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O5
InChI InChI=1S/C27H42O5/c1-16(6-9-24(30)31-5)20-7-8-21-25-22(11-13-27(20,21)4)26(3)12-10-19(32-17(2)28)14-18(26)15-23(25)29/h15-16,19-23,25,29H,6-14H2,1-5H3/t16-,19+,20-,21+,22+,23+,25+,26+,27-/m1/s1
InChIKey UMBOAZAPHYERNA-IKLQUBQNSA-N
Molecular Weight 446.63
Solvent Chloroform-d; Reference=TMS; Temperature=25C Spectrometer= Jeol FX-90Q
Synonyms CHOL-5-EN-24-OIC ACID, 3beta,7beta-DIHYDROXY-, METHYL ESTER, 3-ACETATE