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METHYL-CHOLANATE
SpectraBase Compound ID 82E6qyB4DIn
InChI InChI=1S/C25H42O2/c1-17(8-13-23(26)27-4)20-11-12-21-19-10-9-18-7-5-6-15-24(18,2)22(19)14-16-25(20,21)3/h17-22H,5-16H2,1-4H3/t17-,18+,19+,20-,21+,22+,24+,25-/m1/s1
InChIKey YHTRVWPOAJKWBV-ZXKBGTPZSA-N
Mol Weight 374.6 g/mol
Molecular Formula C25H42O2
Exact Mass 374.318481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9wYIzrrxEhj
Name METHYL-CHOLANATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H42O2
InChI InChI=1S/C25H42O2/c1-17(8-13-23(26)27-4)20-11-12-21-19-10-9-18-7-5-6-15-24(18,2)22(19)14-16-25(20,21)3/h17-22H,5-16H2,1-4H3/t17-,18+,19+,20-,21+,22+,24+,25-/m1/s1
InChIKey YHTRVWPOAJKWBV-ZXKBGTPZSA-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 374.607 g/mol
Solvent CH2Cl2
Source File Reference UNIW11447