John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=G1FPyXDxVa8 SpectraBase Spectrum ID=5X6UvyUfnoG

(accessed ).
[3,4-(13)C(2)]-3-OXO-CHOL-4-EN-24-OIC-ACID-METHYLESTER
SpectraBase Compound ID G1FPyXDxVa8
InChI InChI=1S/C25H38O3/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/h15-16,19-22H,5-14H2,1-4H3/t16-,19+,20-,21+,22+,24+,25-/m1/s1/i15+1,18+1
InChIKey WDIPFMUQXPGENA-AMSODIJHSA-N
Mol Weight 388.6 g/mol
Molecular Formula C2313C2H38O3
Exact Mass 388.288805 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5X6UvyUfnoG
Name [3,4-(13)C(2)]-3-OXO-CHOL-4-EN-24-OIC-ACID-METHYLESTER
Compound Number 14B
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C2313C2H38O3
InChI InChI=1S/C25H38O3/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/h15-16,19-22H,5-14H2,1-4H3/t16-,19+,20-,21+,22+,24+,25-/m1/s1/i15+1,18+1
InChIKey WDIPFMUQXPGENA-AMSODIJHSA-N
Literature Reference Author G.P.TOCHTROP,G.T.D.KOSTER,D.P.CISTOLA,D.F.COVEY
Literature Reference Citation J.ORG.CHEM.,67,6764(2002)
Literature Reference DOI 10.1021/jo0259109
Molecular Weight 388.560 g/mol
Solvent CDCl3
Source File Reference UWSI22099
SpectraBase Batch ID 4JxkxHl2y0Q