| SpectraBase Compound ID | 2kkUzO92JaW |
|---|---|
| InChI | InChI=1S/C40H62O9/c1-10-11-12-13-14-15-16-17-18-19-31(42)49-39-22-26(5)38-21-25(4)35(48-36(45)27(6)24(2)3)40(38,46)33(43)29(23-47-28(7)41)20-30(34(38)44)32(39)37(39,8)9/h20-21,24,26-27,30,32-33,35,43,46H,10-19,22-23H2,1-9H3/t26-,27?,30-,32-,33-,35+,38+,39+,40+/m1/s1 |
| InChIKey | ONQDCHKIYKRYBV-QPBSZPNHSA-N |
| Mol Weight | 686.9 g/mol |
| Molecular Formula | C40H62O9 |
| Exact Mass | 686.439384 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F8zQkThWCcW |
|---|---|
| Name | 3-O-(2,3-DIMETHYLBUTANOYL)-13-O-DODECANOYL-20-ACETYL-INGENOL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H62O9 |
| InChI | InChI=1S/C40H62O9/c1-10-11-12-13-14-15-16-17-18-19-31(42)49-39-22-26(5)38-21-25(4)35(48-36(45)27(6)24(2)3)40(38,46)33(43)29(23-47-28(7)41)20-30(34(38)44)32(39)37(39,8)9/h20-21,24,26-27,30,32-33,35,43,46H,10-19,22-23H2,1-9H3/t26-,27?,30-,32-,33-,35+,38+,39+,40+/m1/s1 |
| InChIKey | ONQDCHKIYKRYBV-QPBSZPNHSA-N |
| Literature Reference Author | L.Y.WANG,N.L.WANG,X.S.YAO,S.MIYATA,S.KITANAKA |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,935(2003) |
| Literature Reference DOI | 10.1248/cpb.51.935 |
| Molecular Weight | 686.927 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU20214 |