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3,3-Ethylenedioxycholanic acid, methyl ester
SpectraBase Compound ID ItfGRtdnRq2
InChI InChI=1S/C27H44O4/c1-18(5-10-24(28)29-4)21-8-9-22-20-7-6-19-17-27(30-15-16-31-27)14-13-25(19,2)23(20)11-12-26(21,22)3/h18-23H,5-17H2,1-4H3/t18-,19?,20+,21-,22+,23+,25+,26-/m1/s1
InChIKey PVONAJSKXIOTSV-RQVYNNQOSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IZS6h1TN3ES
Name 3,3-Ethylenedioxycholanic acid, methyl ester
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-18(5-10-24(28)29-4)21-8-9-22-20-7-6-19-17-27(30-15-16-31-27)14-13-25(19,2)23(20)11-12-26(21,22)3/h18-23H,5-17H2,1-4H3/t18-,19?,20+,21-,22+,23+,25+,26-/m1/s1
InChIKey PVONAJSKXIOTSV-RQVYNNQOSA-N
Instrument Name Varian A-60
Sadtler NMR Number 9970M
Solvent CDCl3