John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Atoqdqeb1h3 SpectraBase Spectrum ID=2mqR9BPVzkR

(accessed ).
(9R,10R)-9,10-EPOXY-8-OXO-4,5:5,10:8,9-TRISECOCHOLESTAN-5-OIC-ACID;(9R,10R)-9,10-EPOXY-8-OXO-4,5-SECOCHOLEKLASTAN-5-OIC-ACID
SpectraBase Compound ID Atoqdqeb1h3
InChI InChI=1S/C27H48O4/c1-7-8-17-27(6)24(31-27)16-18-26(5)21(20(4)11-9-10-19(2)3)12-13-22(26)23(28)14-15-25(29)30/h19-22,24H,7-18H2,1-6H3,(H,29,30)/t20?,21-,22+,24+,26-,27+/m1/s1
InChIKey WWWQKUWEQLRCLC-BKEKQUOLSA-N
Mol Weight 436.7 g/mol
Molecular Formula C27H48O4
Exact Mass 436.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2mqR9BPVzkR
Name (9R,10R)-9,10-EPOXY-8-OXO-4,5:5,10:8,9-TRISECOCHOLESTAN-5-OIC-ACID;(9R,10R)-9,10-EPOXY-8-OXO-4,5-SECOCHOLEKLASTAN-5-OIC-ACID
Compound Number 6B
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H48O4
InChI InChI=1S/C27H48O4/c1-7-8-17-27(6)24(31-27)16-18-26(5)21(20(4)11-9-10-19(2)3)12-13-22(26)23(28)14-15-25(29)30/h19-22,24H,7-18H2,1-6H3,(H,29,30)/t20?,21-,22+,24+,26-,27+/m1/s1
InChIKey WWWQKUWEQLRCLC-BKEKQUOLSA-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 436.676 g/mol
Solvent CDCl3
Source File Reference UWCS7391
SpectraBase Batch ID 31djAE1l7Iw