| SpectraBase Compound ID | Bl1N3VnHA7H |
|---|---|
| InChI | InChI=1S/C29H38O8/c1-9-14(2)26(33)37-24-15(3)12-28-16(4)10-21-22(27(21,7)8)20(23(28)32)11-19(13-35-17(5)30)25(29(24,28)34)36-18(6)31/h9,11-12,16,20-22,24-25,34H,10,13H2,1-8H3/b14-9-/t16-,20+,21-,22+,24+,25-,28+,29-/m1/s1 |
| InChIKey | BAMLERHHOGMUAX-PHMWVENKSA-N |
| Mol Weight | 514.6 g/mol |
| Molecular Formula | C29H38O8 |
| Exact Mass | 514.256668 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jms8SHAL0si |
|---|---|
| Name | INGENOL-3-ANGELATE-5,20-DIACETATE |
| Compound Number | 80 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H38O8 |
| InChI | InChI=1S/C29H38O8/c1-9-14(2)26(33)37-24-15(3)12-28-16(4)10-21-22(27(21,7)8)20(23(28)32)11-19(13-35-17(5)30)25(29(24,28)34)36-18(6)31/h9,11-12,16,20-22,24-25,34H,10,13H2,1-8H3/b14-9-/t16-,20+,21-,22+,24+,25-,28+,29-/m1/s1 |
| InChIKey | BAMLERHHOGMUAX-PHMWVENKSA-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 | 514.616 g/mol |
| Sample ID | 69960 |
| Solvent | CDCl3 |