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5-BETA-HYDROXYRESINIFERONOL-6-ALPHA,7-ALPHA-EPOXY-9,13,14-ORTHO-2E,4E-DECADIENOATE
SpectraBase Compound ID 2vj5ICzroqG
InChI InChI=1S/C30H40O8/c1-6-7-8-9-10-11-12-13-28-36-23-21-24-27(16-31,35-24)25(33)29(34)20(14-18(4)22(29)32)30(21,38-28)19(5)15-26(23,37-28)17(2)3/h10-14,19-21,23-25,31,33-34H,2,6-9,15-16H2,1,3-5H3/b11-10+,13-12+/t19-,20-,21?,23-,24+,25-,26-,27+,28-,29-,30+/m1/s1
InChIKey CZCPFHFUOUQBDL-CVQSXBJXSA-N
Mol Weight 528.6 g/mol
Molecular Formula C30H40O8
Exact Mass 528.272318 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 515kUDGlFXo
Name 5-BETA-HYDROXYRESINIFERONOL-6-ALPHA,7-ALPHA-EPOXY-9,13,14-ORTHO-2E,4E-DECADIENOATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H40O8
InChI InChI=1S/C30H40O8/c1-6-7-8-9-10-11-12-13-28-36-23-21-24-27(16-31,35-24)25(33)29(34)20(14-18(4)22(29)32)30(21,38-28)19(5)15-26(23,37-28)17(2)3/h10-14,19-21,23-25,31,33-34H,2,6-9,15-16H2,1,3-5H3/b11-10+,13-12+/t19-,20-,21?,23-,24+,25-,26-,27+,28-,29-,30+/m1/s1
InChIKey CZCPFHFUOUQBDL-CVQSXBJXSA-N
Literature Reference Author W.HE,M.CIK,L.V.PUYVELDE,J.V.DUN,G.APPENDINO,A.LESAGE,I.V.D.L INDIN,J.E.LEYSEN,W.W
Literature Reference Citation BIOORG.MED.CHEM.,10,3245(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00163-3
Molecular Weight 528.643 g/mol
Solvent CDCl3
Source File Reference UWSI24318