| SpectraBase Compound ID | HLqYVxxYehT |
|---|---|
| InChI | InChI=1S/C36H36O10/c1-19(2)34-28(42-25(38)16-15-22-11-7-5-8-12-22)21(4)35-24-17-20(3)27(39)33(24,41)31(40)32(18-37)29(43-32)26(35)30(34)44-36(45-34,46-35)23-13-9-6-10-14-23/h5-17,21,24,26,28-31,37,40-41H,1,18H2,2-4H3/b16-15+/t21-,24-,26+,28-,29+,30-,31-,32+,33-,34+,35+,36?/m1/s1 |
| InChIKey | OTTFLYUONKAFGT-OYSGWTEZSA-N |
| Mol Weight | 628.7 g/mol |
| Molecular Formula | C36H36O10 |
| Exact Mass | 628.230847 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LYYaBPAKqDJ |
|---|---|
| Name | 12-O-CINNAMOYL-5-HYDROXY-6,7-EPOXY-RESINIFERONOL-9,13,14-ORTHOBENZOATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H36O10 |
| InChI | InChI=1S/C36H36O10/c1-19(2)34-28(42-25(38)16-15-22-11-7-5-8-12-22)21(4)35-24-17-20(3)27(39)33(24,41)31(40)32(18-37)29(43-32)26(35)30(34)44-36(45-34,46-35)23-13-9-6-10-14-23/h5-17,21,24,26,28-31,37,40-41H,1,18H2,2-4H3/b16-15+/t21-,24-,26+,28-,29+,30-,31-,32+,33-,34+,35+,36?/m1/s1 |
| InChIKey | OTTFLYUONKAFGT-OYSGWTEZSA-N |
| Literature Reference Author | G.BROOKS,A.T.EVANS,A.AITKEN,F.J.EVANS,A.F.M.RIZK,F.M.HAMMOUD A,M.M.EL.MISSIRY,S.E |
| Literature Reference Citation | PHYTOCHEM.,29,2235(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)83044-2 |
| Molecular Weight | 628.676 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ22418 |