| SpectraBase Compound ID | ESy3aJG2Z5o |
|---|---|
| InChI | InChI=1S/C32H40O10/c1-7-8-9-10-11-12-13-14-29-40-26-22-25-28(16-33,39-25)27(36)30(37)21(15-18(4)23(30)35)32(22,42-29)19(5)24(38-20(6)34)31(26,41-29)17(2)3/h9-15,19,21-22,24-27,33,36-37H,2,7-8,16H2,1,3-6H3/b10-9+,12-11+,14-13+/t19-,21-,22?,24-,25+,26-,27-,28+,29-,30-,31+,32+/m1/s1 |
| InChIKey | VJELPTFOTXKQJX-JQKIJKLUSA-N |
| Mol Weight | 584.7 g/mol |
| Molecular Formula | C32H40O10 |
| Exact Mass | 584.262147 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LGO3l1XsZ4K |
|---|---|
| Name | 5-BETA-HYDROXYRESINIFERONOL-6-ALPHA,7-ALPHA-EPOXY-12-BETA-ACETOXY-9,13,14-ORTHO-2E,4E,6E-DECATRIENOATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H40O10 |
| InChI | InChI=1S/C32H40O10/c1-7-8-9-10-11-12-13-14-29-40-26-22-25-28(16-33,39-25)27(36)30(37)21(15-18(4)23(30)35)32(22,42-29)19(5)24(38-20(6)34)31(26,41-29)17(2)3/h9-15,19,21-22,24-27,33,36-37H,2,7-8,16H2,1,3-6H3/b10-9+,12-11+,14-13+/t19-,21-,22?,24-,25+,26-,27-,28+,29-,30-,31+,32+/m1/s1 |
| InChIKey | VJELPTFOTXKQJX-JQKIJKLUSA-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 | 584.664 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI24319 |