| SpectraBase Compound ID | GF7x4ogyYvw |
|---|---|
| InChI | InChI=1S/C30H42O6/c1-6-7-8-9-10-11-12-13-23(32)36-27-18(2)16-29-19(3)14-22-24(28(22,4)5)21(26(29)34)15-20(17-31)25(33)30(27,29)35/h10-13,15-16,19,21-22,24-25,27,31,33,35H,6-9,14,17H2,1-5H3/b11-10+,13-12+/t19-,21+,22-,24+,25-,27+,29+,30+/m1/s1 |
| InChIKey | XMXZQPNIMGCMHC-RIEFUZAHSA-N |
| Mol Weight | 498.7 g/mol |
| Molecular Formula | C30H42O6 |
| Exact Mass | 498.298139 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JN3YBYMfPGB |
|---|---|
| Name | 3-O-(2'E,4'E-DECADIENOYL)-INGENOL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H42O6 |
| InChI | InChI=1S/C30H42O6/c1-6-7-8-9-10-11-12-13-23(32)36-27-18(2)16-29-19(3)14-22-24(28(22,4)5)21(26(29)34)15-20(17-31)25(33)30(27,29)35/h10-13,15-16,19,21-22,24-25,27,31,33,35H,6-9,14,17H2,1-5H3/b11-10+,13-12+/t19-,21+,22-,24+,25-,27+,29+,30+/m1/s1 |
| InChIKey | XMXZQPNIMGCMHC-RIEFUZAHSA-N |
| Literature Reference Author | L.Y.WANG,N.L.WANG,X.S.YAO,S.MIYATA,S.KITANAKA |
| Literature Reference Citation | J.NAT.PROD.,65,1246(2002) |
| Literature Reference DOI | 10.1021/np0200921 |
| Molecular Weight | 498.660 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI5145 |