| SpectraBase Compound ID | 6fksF5Nzu2Q |
|---|---|
| InChI | InChI=1S/C38H60O8/c1-9-10-11-12-13-14-15-16-17-18-29(40)46-37-21-25(5)36-20-24(4)33(45-34(43)26(6)23(2)3)38(36,44)31(41)27(22-39)19-28(32(36)42)30(37)35(37,7)8/h19-20,23,25-26,28,30-31,33,39,41,44H,9-18,21-22H2,1-8H3/t25-,26?,28+,30-,31-,33+,36+,37+,38+/m1/s1 |
| InChIKey | HAZRIGCVIAWJTI-YKEFVAIKSA-N |
| Mol Weight | 644.9 g/mol |
| Molecular Formula | C38H60O8 |
| Exact Mass | 644.428819 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7eqpeIZrXsX |
|---|---|
| Name | 3-O-(2,3-DIMETHYLBUTANOYL)-13-O-DODECANOYL-INGENOL |
| Compound Number | 54 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H60O8 |
| InChI | InChI=1S/C38H60O8/c1-9-10-11-12-13-14-15-16-17-18-29(40)46-37-21-25(5)36-20-24(4)33(45-34(43)26(6)23(2)3)38(36,44)31(41)27(22-39)19-28(32(36)42)30(37)35(37,7)8/h19-20,23,25-26,28,30-31,33,39,41,44H,9-18,21-22H2,1-8H3/t25-,26?,28+,30-,31-,33+,36+,37+,38+/m1/s1 |
| InChIKey | HAZRIGCVIAWJTI-YKEFVAIKSA-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 | 644.890 g/mol |
| Sample ID | 69934 |
| Solvent | CDCl3 |