![20-O-ACETYL-3-O-[(Z)-2-METHYL-2-BUTENOYL]-INGENOL](/api/spectrum/39yPzmBqFbf/structure.png?h=300&w=458 "20-O-ACETYL-3-O-[(Z)-2-METHYL-2-BUTENOYL]-INGENOL")
| SpectraBase Compound ID | HqY0Vfyubz2 |
|---|---|
| InChI | InChI=1S/C27H36O7/c1-8-13(2)24(31)34-23-14(3)11-26-15(4)9-19-20(25(19,6)7)18(22(26)30)10-17(12-33-16(5)28)21(29)27(23,26)32/h8,10-11,15,18-21,23,29,32H,9,12H2,1-7H3/b13-8-/t15-,18+,19-,20+,21-,23+,26+,27+/m1/s1 |
| InChIKey | ZYCAGKYWXRKLSN-KLKWOBOISA-N |
| Mol Weight | 472.6 g/mol |
| Molecular Formula | C27H36O7 |
| Exact Mass | 472.246103 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 39yPzmBqFbf |
|---|---|
| Name | INGENOL-3-ANGELATE-20-ACETATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36O7 |
| InChI | InChI=1S/C27H36O7/c1-8-13(2)24(31)34-23-14(3)11-26-15(4)9-19-20(25(19,6)7)18(22(26)30)10-17(12-33-16(5)28)21(29)27(23,26)32/h8,10-11,15,18-21,23,29,32H,9,12H2,1-7H3/b13-8-/t15-,18+,19-,20+,21-,23+,26+,27+/m1/s1 |
| InChIKey | ZYCAGKYWXRKLSN-KLKWOBOISA-N |
| Literature Reference Author | J.A.MARCO,J.F.SANZ-CERVERA,A.YUSTE |
| Literature Reference Citation | PHYTOCHEM.,45,563(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00018-6 |
| Molecular Weight | 472.579 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP1448 |