| SpectraBase Compound ID | 3YqKvZHVKT8 |
|---|---|
| InChI | InChI=1S/C34H50O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-27(36)40-31-22(2)20-33-23(3)18-26-28(32(26,4)5)25(30(33)38)19-24(21-35)29(37)34(31,33)39/h14-17,19-20,23,25-26,28-29,31,35,37,39H,6-13,18,21H2,1-5H3/b15-14-,17-16+/t23-,25+,26-,28+,29-,31+,33+,34+/m1/s1 |
| InChIKey | QNDIKCLOSTWAJT-YTYHUZFQSA-N |
| Mol Weight | 554.8 g/mol |
| Molecular Formula | C34H50O6 |
| Exact Mass | 554.360739 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KWq4VkhZirD |
|---|---|
| Name | INGENOL-3-O-(2'E,4'Z)-TETRADECADIENOATE |
| Compound Number | 58 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H50O6 |
| InChI | InChI=1S/C34H50O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-27(36)40-31-22(2)20-33-23(3)18-26-28(32(26,4)5)25(30(33)38)19-24(21-35)29(37)34(31,33)39/h14-17,19-20,23,25-26,28-29,31,35,37,39H,6-13,18,21H2,1-5H3/b15-14-,17-16+/t23-,25+,26-,28+,29-,31+,33+,34+/m1/s1 |
| InChIKey | QNDIKCLOSTWAJT-YTYHUZFQSA-N |
| Literature Reference Author | Q.C.WU,Y.P.TANG,A.W.DING,F.Q.YOU,L.ZHANG,J.A.DUAN |
| Literature Reference Citation | MOLECULES,14,4454(2009) |
| Literature Reference DOI | 10.3390/molecules14114454 |
| Molecular Weight | 554.767 g/mol |
| Sample ID | 69938 |
| Solvent | CDCl3 |