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METHYL-3-OXO-5-BETA-CHOLAN-24-OATE

View entire compound with spectra: 1 NMR

METHYL-3-OXO-5-BETA-CHOLAN-24-OATE
SpectraBase Compound ID BlgIH0wWafR
InChI InChI=1S/C25H40O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h16-17,19-22H,5-15H2,1-4H3/t16?,17-,19+,20-,21+,22+,24+,25-/m1/s1
InChIKey SRLWMUQGWKOYLX-KTSCZXPFSA-N
Mol Weight 388.6 g/mol
Molecular Formula C25H40O3
Exact Mass 388.297745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BHnYd0qvqpg
Name METHYL-3-OXO-5-BETA-CHOLAN-24-OATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H40O3
InChI InChI=1S/C25H40O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h16-17,19-22H,5-15H2,1-4H3/t16?,17-,19+,20-,21+,22+,24+,25-/m1/s1
InChIKey SRLWMUQGWKOYLX-KTSCZXPFSA-N
Literature Reference Author A.M.SELDES,M.E.DELUCA,E.G.GROS
Literature Reference Citation MAGN.RES.CHEM.,24,185(1986)
Literature Reference DOI 10.1002/mrc.1260240302
Molecular Weight 388.591 g/mol
Solvent CDCl3
Source File Reference UNIW18341