| SpectraBase Compound ID | DOkQpHYfe9s |
|---|---|
| InChI | InChI=1S/C39H52O9/c1-20(2)25(8)33(42)47-32-23(6)17-37-24(7)18-38(48-34(43)26(9)21(3)4)29(28(31(37)41)16-22(5)30(40)39(32,37)45)36(38,10)19-46-35(44)27-14-12-11-13-15-27/h11-17,20-21,24-26,28-30,32,40,45H,18-19H2,1-10H3/t24-,25?,26?,28+,29-,30-,32+,36+,37+,38+,39+/m1/s1 |
| InChIKey | ONTMZBFZLCINHW-LXZSVKFKSA-N |
| Mol Weight | 664.8 g/mol |
| Molecular Formula | C39H52O9 |
| Exact Mass | 664.361133 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3SercacJxNX |
|---|---|
| Name | 17-BENZOYLOXY-3-O-(2,3-DIMETHYLBUTANOYL)-13-(2,3-DIMETHYLBUTANOYLOXY)-20-DEOXY-INGENOL |
| Compound Number | 65 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H52O9 |
| InChI | InChI=1S/C39H52O9/c1-20(2)25(8)33(42)47-32-23(6)17-37-24(7)18-38(48-34(43)26(9)21(3)4)29(28(31(37)41)16-22(5)30(40)39(32,37)45)36(38,10)19-46-35(44)27-14-12-11-13-15-27/h11-17,20-21,24-26,28-30,32,40,45H,18-19H2,1-10H3/t24-,25?,26?,28+,29-,30-,32+,36+,37+,38+,39+/m1/s1 |
| InChIKey | ONTMZBFZLCINHW-LXZSVKFKSA-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 | 664.836 g/mol |
| Sample ID | 69945 |
| Solvent | CDCl3 |