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METHYL-3,12-DIACETYLDESOXYCHOLATE
SpectraBase Compound ID 3tJTFJuQ5Wj
InChI InChI=1S/C29H46O6/c1-17(7-12-27(32)33-6)23-10-11-24-22-9-8-20-15-21(34-18(2)30)13-14-28(20,4)25(22)16-26(29(23,24)5)35-19(3)31/h17,20-26H,7-16H2,1-6H3/t17?,20-,21-,22+,23-,24+,25+,26+,28+,29-/m1/s1
InChIKey DESKMGPXRKEZPC-VFGPXDQCSA-N
Mol Weight 490.7 g/mol
Molecular Formula C29H46O6
Exact Mass 490.329439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BUqmlm4vaki
Name METHYL-3,12-DIACETYLDESOXYCHOLATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H46O6
InChI InChI=1S/C29H46O6/c1-17(7-12-27(32)33-6)23-10-11-24-22-9-8-20-15-21(34-18(2)30)13-14-28(20,4)25(22)16-26(29(23,24)5)35-19(3)31/h17,20-26H,7-16H2,1-6H3/t17?,20-,21-,22+,23-,24+,25+,26+,28+,29-/m1/s1
InChIKey DESKMGPXRKEZPC-VFGPXDQCSA-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 UNIW11464