| SpectraBase Compound ID | 8l1y0cf1fXV |
|---|---|
| InChI | InChI=1S/C36H50O10/c1-7-8-9-10-11-12-13-14-15-16-17-18-33-44-30-26-29-32(20-37,43-29)31(40)34(41)25(19-22(4)27(34)39)36(26,46-33)23(5)28(42-24(6)38)35(30,45-33)21(2)3/h15-19,23,25-26,28-31,37,40-41H,2,7-14,20H2,1,3-6H3/b16-15+,18-17+/t23-,25-,26?,28-,29+,30-,31-,32+,33-,34-,35+,36+/m1/s1 |
| InChIKey | ADIURPPZKNTYEV-JTMCEPRSSA-N |
| Mol Weight | 642.8 g/mol |
| Molecular Formula | C36H50O10 |
| Exact Mass | 642.340398 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H1FnO2yX2PT |
|---|---|
| Name | 5-BETA-HYDROXYRESINIFERONOL-6-ALPHA,7-ALPHA-EPOXY-12-BETA-ACETOXY-9,13,14-ORTHO-2E,4E-TETRADECADIENOATE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H50O10 |
| InChI | InChI=1S/C36H50O10/c1-7-8-9-10-11-12-13-14-15-16-17-18-33-44-30-26-29-32(20-37,43-29)31(40)34(41)25(19-22(4)27(34)39)36(26,46-33)23(5)28(42-24(6)38)35(30,45-33)21(2)3/h15-19,23,25-26,28-31,37,40-41H,2,7-14,20H2,1,3-6H3/b16-15+,18-17+/t23-,25-,26?,28-,29+,30-,31-,32+,33-,34-,35+,36+/m1/s1 |
| InChIKey | ADIURPPZKNTYEV-JTMCEPRSSA-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 | 642.787 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI24321 |