| SpectraBase Compound ID | KS39aLf92Q1 |
|---|---|
| InChI | InChI=1S/C36H56O8/c1-9-10-11-12-13-14-15-16-27(38)44-35-19-23(5)34-18-22(4)31(43-32(41)24(6)21(2)3)36(34,42)29(39)25(20-37)17-26(30(34)40)28(35)33(35,7)8/h17-18,21,23-24,26,28-29,31,37,39,42H,9-16,19-20H2,1-8H3/t23-,24?,26+,28-,29-,31+,34+,35+,36+/m1/s1 |
| InChIKey | VHVJBYQIZINFQS-YJQDPXNASA-N |
| Mol Weight | 616.8 g/mol |
| Molecular Formula | C36H56O8 |
| Exact Mass | 616.397519 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5L5b16WdU2h |
|---|---|
| Name | 3-O-(2,3-DIMETHYLBUTANOYL)-13-O-DECANOYL-INGENOL |
| Compound Number | 55 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O8 |
| InChI | InChI=1S/C36H56O8/c1-9-10-11-12-13-14-15-16-27(38)44-35-19-23(5)34-18-22(4)31(43-32(41)24(6)21(2)3)36(34,42)29(39)25(20-37)17-26(30(34)40)28(35)33(35,7)8/h17-18,21,23-24,26,28-29,31,37,39,42H,9-16,19-20H2,1-8H3/t23-,24?,26+,28-,29-,31+,34+,35+,36+/m1/s1 |
| InChIKey | VHVJBYQIZINFQS-YJQDPXNASA-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 | 616.836 g/mol |
| Sample ID | 69935 |
| Solvent | CDCl3 |