| SpectraBase Compound ID | Hm3rQdBZLZl |
|---|---|
| InChI | InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h11-14,16-17,20,23-24,26-27,29,35,37H,7-10,15,18H2,1-6H3/b12-11-,14-13+/t20-,23+,24-,26+,27-,29+,31+,32+/m1/s1 |
| InChIKey | SYXKKJDQNXPUSI-IFEMBOOLSA-N |
| Mol Weight | 540.7 g/mol |
| Molecular Formula | C32H44O7 |
| Exact Mass | 540.308704 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5m5EN7u3YqP |
|---|---|
| Name | 20-O-ACETYL-INGENOL-3-O-(2''E,4''Z)-DECADIENOATE |
| Compound Number | 60 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H44O7 |
| InChI | InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h11-14,16-17,20,23-24,26-27,29,35,37H,7-10,15,18H2,1-6H3/b12-11-,14-13+/t20-,23+,24-,26+,27-,29+,31+,32+/m1/s1 |
| InChIKey | SYXKKJDQNXPUSI-IFEMBOOLSA-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 | 540.697 g/mol |
| Sample ID | 69940 |
| Solvent | CDCl3 |