| SpectraBase Compound ID | 147Nmg5Vo6S |
|---|---|
| InChI | InChI=1S/C37H42O10/c1-6-7-8-9-10-11-15-18-26(39)43-29-23(5)36-25-19-22(4)28(40)34(25,42)32(41)33(20-38)30(44-33)27(36)31-35(29,21(2)3)46-37(45-31,47-36)24-16-13-12-14-17-24/h8-19,23,25,27,29-32,38,41-42H,2,6-7,20H2,1,3-5H3/b9-8+,11-10+,18-15+/t23-,25-,27+,29-,30+,31-,32-,33+,34-,35+,36+,37+/m1/s1 |
| InChIKey | NEIGQRKMHFDLTK-ADGBIWLGSA-N |
| Mol Weight | 646.7 g/mol |
| Molecular Formula | C37H42O10 |
| Exact Mass | 646.277798 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kr2wAwH8NSW |
|---|---|
| Name | 12-O-N-DECA-2,4,6-TRIENOYL-5-HYDROXY-6,7-EPOXY-RESINIFERONOL-9,13,14-ORTHOBENZOATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H42O10 |
| InChI | InChI=1S/C37H42O10/c1-6-7-8-9-10-11-15-18-26(39)43-29-23(5)36-25-19-22(4)28(40)34(25,42)32(41)33(20-38)30(44-33)27(36)31-35(29,21(2)3)46-37(45-31,47-36)24-16-13-12-14-17-24/h8-19,23,25,27,29-32,38,41-42H,2,6-7,20H2,1,3-5H3/b9-8+,11-10+,18-15+/t23-,25-,27+,29-,30+,31-,32-,33+,34-,35+,36+,37+/m1/s1 |
| InChIKey | NEIGQRKMHFDLTK-ADGBIWLGSA-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 | 646.734 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ22419 |