John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=6Kl7nvk39Fm SpectraBase Spectrum ID=2vVVSoZJKOW

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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 2vVVSoZJKOW
Name 3-ACETOXY-METHYL-5-BETA-CHOL-5(6)-ENOATE
Compound Number 7
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author T.IIDA,J.GOTO,T.NAMBARA
Literature Reference Citation MAGN.RES.CHEM.,31,421(1993)
Literature Reference DOI 10.1002/mrc.1260310423
Molecular Weight 430.628 g/mol
Solvent CDCl3
Source File Reference UWMR167
SpectraBase Batch ID 1cW9bGbrvgI