| SpectraBase Compound ID | IAnsDNefpRP |
|---|---|
| InChI | InChI=1S/C40H46O10/c1-22(2)25(5)34(44)50-39-19-24(4)38-18-23(3)33(49-36(46)27-15-11-8-12-16-27)40(38,47)31(42)28(20-41)17-29(32(38)43)30(39)37(39,6)21-48-35(45)26-13-9-7-10-14-26/h7-18,22,24-25,29-31,33,41-42,47H,19-21H2,1-6H3/t24-,25?,29+,30-,31-,33+,37+,38+,39+,40+/m1/s1 |
| InChIKey | QMPPBIGYOZETDT-GMRCRSKVSA-N |
| Mol Weight | 686.8 g/mol |
| Molecular Formula | C40H46O10 |
| Exact Mass | 686.309098 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BwRwVki6W1m |
|---|---|
| Name | 3-O-BENZOYL-17-BENZOYLOXY-13-(2,3-DIMETHYLBUTANOYLOXY)-INGENOL |
| Compound Number | 75 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H46O10 |
| InChI | InChI=1S/C40H46O10/c1-22(2)25(5)34(44)50-39-19-24(4)38-18-23(3)33(49-36(46)27-15-11-8-12-16-27)40(38,47)31(42)28(20-41)17-29(32(38)43)30(39)37(39,6)21-48-35(45)26-13-9-7-10-14-26/h7-18,22,24-25,29-31,33,41-42,47H,19-21H2,1-6H3/t24-,25?,29+,30-,31-,33+,37+,38+,39+,40+/m1/s1 |
| InChIKey | QMPPBIGYOZETDT-GMRCRSKVSA-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 | 686.799 g/mol |
| Sample ID | 69955 |
| Solvent | CDCl3 |