| SpectraBase Compound ID | LMU5OSSNx1I |
|---|---|
| InChI | InChI=1S/C26H34O8/c1-12-10-25-13(2)8-19-20(24(19,6)7)18(21(25)30)9-17(11-32-14(3)27)23(34-16(5)29)26(25,31)22(12)33-15(4)28/h9-10,13,18-20,22-23,31H,8,11H2,1-7H3/t13-,18+,19-,20+,22+,23-,25+,26-/m1/s1 |
| InChIKey | IMTIXJBINQBHFH-JETAQZOISA-N |
| Mol Weight | 474.6 g/mol |
| Molecular Formula | C26H34O8 |
| Exact Mass | 474.225368 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | RxFkyQI1Y4 |
|---|---|
| Name | 3,5,20-O-TRIACETYL-INGENOL |
| Compound Number | 47 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H34O8 |
| InChI | InChI=1S/C26H34O8/c1-12-10-25-13(2)8-19-20(24(19,6)7)18(21(25)30)9-17(11-32-14(3)27)23(34-16(5)29)26(25,31)22(12)33-15(4)28/h9-10,13,18-20,22-23,31H,8,11H2,1-7H3/t13-,18+,19-,20+,22+,23-,25+,26-/m1/s1 |
| InChIKey | IMTIXJBINQBHFH-JETAQZOISA-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 | 474.551 g/mol |
| Sample ID | 69927 |
| Solvent | CDCl3 |