| SpectraBase Compound ID | LMC7XnFyJ5Q |
|---|---|
| InChI | InChI=1S/C29H38O9/c1-8-14(2)26(34)38-25-15(3)11-28-16(4)9-21-22(27(21,7)13-37-18(6)31)20(24(28)33)10-19(12-36-17(5)30)23(32)29(25,28)35/h8,10-11,16,20-23,25,32,35H,9,12-13H2,1-7H3/b14-8-/t16-,20+,21-,22+,23-,25+,27-,28+,29+/m1/s1 |
| InChIKey | SUOHGOIHHZPJSG-GINMOIGRSA-N |
| Mol Weight | 530.6 g/mol |
| Molecular Formula | C29H38O9 |
| Exact Mass | 530.251583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JJb8Z5zqTQ8 |
|---|---|
| Name | 17-ACETOXY-INGENOL-20-ACETATE-3-ANGELATE |
| Compound Number | 86 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H38O9 |
| InChI | InChI=1S/C29H38O9/c1-8-14(2)26(34)38-25-15(3)11-28-16(4)9-21-22(27(21,7)13-37-18(6)31)20(24(28)33)10-19(12-36-17(5)30)23(32)29(25,28)35/h8,10-11,16,20-23,25,32,35H,9,12-13H2,1-7H3/b14-8-/t16-,20+,21-,22+,23-,25+,27-,28+,29+/m1/s1 |
| InChIKey | SUOHGOIHHZPJSG-GINMOIGRSA-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 | 530.615 g/mol |
| Sample ID | 69966 |
| Solvent | CDCl3 |