John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=B5V7JEYlPQH SpectraBase Spectrum ID=2MDkpdi3eOp

(accessed ).
METHYL-(9S,10S)-4-ACETOXY-9,10-EPOXY-8-OXO-4,5:5,10:8,9-TRISECOCHOLESTAN-5-OATE;METHYL-(9S,10S)-4-ACETOXY-9,10-EPOXY-8-OXO-4,5-SECOCHOLEKLASTAN-5-OATE;CMP-#11B
SpectraBase Compound ID B5V7JEYlPQH
InChI InChI=1S/C30H52O6/c1-21(2)11-10-12-22(3)24-13-14-25(26(32)15-16-28(33)34-7)29(24,5)19-17-27-30(6,36-27)18-8-9-20-35-23(4)31/h21-22,24-25,27H,8-20H2,1-7H3/t22?,24-,25+,27-,29-,30-/m1/s1
InChIKey CSMSKAXUSKFUEW-GWCFEZCXSA-N
Mol Weight 508.7 g/mol
Molecular Formula C30H52O6
Exact Mass 508.37639 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2MDkpdi3eOp
Name METHYL-(9S,10S)-4-ACETOXY-9,10-EPOXY-8-OXO-4,5:5,10:8,9-TRISECOCHOLESTAN-5-OATE;METHYL-(9S,10S)-4-ACETOXY-9,10-EPOXY-8-OXO-4,5-SECOCHOLEKLASTAN-5-OATE;CMP-#11B
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H52O6
InChI InChI=1S/C30H52O6/c1-21(2)11-10-12-22(3)24-13-14-25(26(32)15-16-28(33)34-7)29(24,5)19-17-27-30(6,36-27)18-8-9-20-35-23(4)31/h21-22,24-25,27H,8-20H2,1-7H3/t22?,24-,25+,27-,29-,30-/m1/s1
InChIKey CSMSKAXUSKFUEW-GWCFEZCXSA-N
Literature Reference Author L.LORENC,L.BONDARENKO-GHEORGHIU,V.PAVLOVIC,H.FUHRER,J.KALVOD A,M.L.MIHAILOVIC
Literature Reference Citation HELV.CHIM.ACTA,75,203(1992)
Literature Reference DOI 10.1002/hlca.19920750118
Molecular Weight 508.739 g/mol
Solvent CDCl3
Source File Reference UWCS7400
SpectraBase Batch ID 255SQMDMSLa