John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=7OFXYfZSEyU SpectraBase Spectrum ID=46ASLIdOILT

(accessed ).
[3,4-(13)C(2)]-(6-ALPHA,7-ALPHA)-6,7-EPOXY-3-OXO-CHOL-4-EN-24-OIC-ACID-METHYLESTER
SpectraBase Compound ID 7OFXYfZSEyU
InChI InChI=1S/C25H36O4/c1-14(5-8-20(27)28-4)16-6-7-17-21-18(10-12-24(16,17)2)25(3)11-9-15(26)13-19(25)22-23(21)29-22/h13-14,16-18,21-23H,5-12H2,1-4H3/t14-,16+,17-,18-,21-,22+,23-,24+,25+/m0/s1/i13+1,15+1
InChIKey RKDSRNLCZJTBLB-WSDMBFLISA-N
Mol Weight 402.5 g/mol
Molecular Formula C2313C2H36O4
Exact Mass 402.26807 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 46ASLIdOILT
Name [3,4-(13)C(2)]-(6-ALPHA,7-ALPHA)-6,7-EPOXY-3-OXO-CHOL-4-EN-24-OIC-ACID-METHYLESTER
Compound Number 19B
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C2313C2H36O4
InChI InChI=1S/C25H36O4/c1-14(5-8-20(27)28-4)16-6-7-17-21-18(10-12-24(16,17)2)25(3)11-9-15(26)13-19(25)22-23(21)29-22/h13-14,16-18,21-23H,5-12H2,1-4H3/t14-,16+,17-,18-,21-,22+,23-,24+,25+/m0/s1/i13+1,15+1
InChIKey RKDSRNLCZJTBLB-WSDMBFLISA-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 402.543 g/mol
Solvent CDCl3
Source File Reference UWSI22105
SpectraBase Batch ID 3o1bpAx0mwE