| SpectraBase Compound ID | 6m9NVvPedF9 |
|---|---|
| InChI | InChI=1S/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16+,17-,18+,19-,21+,24+,25+/m1/s1 |
| InChIKey | VDJHFHXMUKFKET-WDUFCVPESA-N |
| Mol Weight | 430.5 g/mol |
| Molecular Formula | C25H34O6 |
| Exact Mass | 430.235539 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JgsStFDP0Xo |
|---|---|
| Name | INGENOL-3-ANGELATE |
| Compound Number | 83 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H34O6 |
| InChI | InChI=1S/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16+,17-,18+,19-,21+,24+,25+/m1/s1 |
| InChIKey | VDJHFHXMUKFKET-WDUFCVPESA-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 | 430.541 g/mol |
| Sample ID | 69963 |
| Solvent | CDCl3 |