John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=HOjTa64GAl2 SpectraBase Spectrum ID=2VkoqoqvX3B

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METHYL-3,7-DIACETYLCHENODESOXYCHOLATE
SpectraBase Compound ID HOjTa64GAl2
InChI InChI=1S/C29H46O6/c1-17(7-10-26(32)33-6)22-8-9-23-27-24(12-14-29(22,23)5)28(4)13-11-21(34-18(2)30)15-20(28)16-25(27)35-19(3)31/h17,20-25,27H,7-16H2,1-6H3/t17?,20-,21+,22+,23-,24-,25+,27-,28-,29+/m0/s1
InChIKey ZKHVKSAMEUAGEN-OWGAKYBZSA-N
Mol Weight 490.7 g/mol
Molecular Formula C29H46O6
Exact Mass 490.32944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2VkoqoqvX3B
Name METHYL-3,7-DIACETYLCHENODESOXYCHOLATE
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H46O6
InChI InChI=1S/C29H46O6/c1-17(7-10-26(32)33-6)22-8-9-23-27-24(12-14-29(22,23)5)28(4)13-11-21(34-18(2)30)15-20(28)16-25(27)35-19(3)31/h17,20-25,27H,7-16H2,1-6H3/t17?,20-,21+,22+,23-,24-,25+,27-,28-,29+/m0/s1
InChIKey ZKHVKSAMEUAGEN-OWGAKYBZSA-N
Literature Reference Author D.LEIBFRITZ,J.D.ROBERTS
Literature Reference Citation J.AM.CHEM.SOC.,95,4996(1973)
Literature Reference DOI 10.1021/ja00796a036
Molecular Weight 490.681 g/mol
Solvent CH2Cl2
Source File Reference UNIW11463
SpectraBase Batch ID FSTPI1MKu8Q