| SpectraBase Compound ID | VHIS4jecvq |
|---|---|
| InChI | InChI=1S/C32H50O7/c1-6-7-8-9-10-11-12-13-14-15-24(34)39-31-18-21(3)30-17-20(2)26(35)32(30,38)27(36)22(19-33)16-23(28(30)37)25(31)29(31,4)5/h16-17,21,23,25-27,33,35-36,38H,6-15,18-19H2,1-5H3/t21-,23+,25-,26+,27-,30+,31+,32-/m1/s1 |
| InChIKey | FEZDDYPHEHMXLF-YFQQJSGYSA-N |
| Mol Weight | 546.7 g/mol |
| Molecular Formula | C32H50O7 |
| Exact Mass | 546.355654 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HNp9QKvfupM |
|---|---|
| Name | 13-O-DODECANOYL-INGENOL |
| Compound Number | 44 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H50O7 |
| InChI | InChI=1S/C32H50O7/c1-6-7-8-9-10-11-12-13-14-15-24(34)39-31-18-21(3)30-17-20(2)26(35)32(30,38)27(36)22(19-33)16-23(28(30)37)25(31)29(31,4)5/h16-17,21,23,25-27,33,35-36,38H,6-15,18-19H2,1-5H3/t21-,23+,25-,26+,27-,30+,31+,32-/m1/s1 |
| InChIKey | FEZDDYPHEHMXLF-YFQQJSGYSA-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 | 546.745 g/mol |
| Sample ID | 69924 |
| Solvent | CDCl3 |