John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=IjbMGcsnbFU SpectraBase Spectrum ID=JSTorDtsEgG

(accessed ).
(9S,10S)-9,10-EPOXY-4A-OXA-4A-HOMO-5,10:8,9-DISECOCHOLESTANE-5,8-DIONE;(9S,10S)-9,10-EPOXY-4A-OXA-4A-HOMOCHOLEKLASTANE-5,8-DIONE
SpectraBase Compound ID IjbMGcsnbFU
InChI InChI=1S/C27H46O4/c1-19(2)9-8-10-20(3)21-11-12-22-23(28)13-14-25(29)30-18-7-6-16-27(5)24(31-27)15-17-26(21,22)4/h19-22,24H,6-18H2,1-5H3/t20?,21-,22+,24-,26-,27+/m0/s1
InChIKey MZUCJULJNCFVJB-UJWZHQRQSA-N
Mol Weight 434.7 g/mol
Molecular Formula C27H46O4
Exact Mass 434.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JSTorDtsEgG
Name (9S,10S)-9,10-EPOXY-4A-OXA-4A-HOMO-5,10:8,9-DISECOCHOLESTANE-5,8-DIONE;(9S,10S)-9,10-EPOXY-4A-OXA-4A-HOMOCHOLEKLASTANE-5,8-DIONE
Compound Number 4B
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H46O4
InChI InChI=1S/C27H46O4/c1-19(2)9-8-10-20(3)21-11-12-22-23(28)13-14-25(29)30-18-7-6-16-27(5)24(31-27)15-17-26(21,22)4/h19-22,24H,6-18H2,1-5H3/t20?,21-,22+,24-,26-,27+/m0/s1
InChIKey MZUCJULJNCFVJB-UJWZHQRQSA-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 434.660 g/mol
Solvent CDCl3
Source File Reference UWCS7394
SpectraBase Batch ID 2b1bYT1OdPm