| SpectraBase Compound ID | 9CfxtZeSBB |
|---|---|
| InChI | InChI=1S/C38H58O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-31(41)44-23-28-21-29-32-30(36(32,6)7)20-25(3)37(33(29)42)22-24(2)34(45-26(4)39)38(37,43)35(28)46-27(5)40/h21-22,25,29-30,32,34-35,43H,8-20,23H2,1-7H3/t25-,29+,30-,32+,34+,35-,37+,38-/m1/s1 |
| InChIKey | BZSQQOBJGDVPAT-XEXQGZFPSA-N |
| Mol Weight | 642.9 g/mol |
| Molecular Formula | C38H58O8 |
| Exact Mass | 642.413169 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9TKCaBMU7hS |
|---|---|
| Name | 20-TETRADECANOATE-INGENOL-3,5-DIACETATE |
| Compound Number | 50 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H58O8 |
| InChI | InChI=1S/C38H58O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-31(41)44-23-28-21-29-32-30(36(32,6)7)20-25(3)37(33(29)42)22-24(2)34(45-26(4)39)38(37,43)35(28)46-27(5)40/h21-22,25,29-30,32,34-35,43H,8-20,23H2,1-7H3/t25-,29+,30-,32+,34+,35-,37+,38-/m1/s1 |
| InChIKey | BZSQQOBJGDVPAT-XEXQGZFPSA-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 | 642.874 g/mol |
| Sample ID | 69930 |
| Solvent | CDCl3 |