| SpectraBase Compound ID | 4mFkpg7COCh |
|---|---|
| InChI | InChI=1S/C34H40O9/c1-7-18(2)30(38)43-29-19(3)15-33-20(4)13-25-26(32(25,6)17-42-31(39)22-11-9-8-10-12-22)24(28(33)37)14-23(16-41-21(5)35)27(36)34(29,33)40/h7-12,14-15,20,24-27,29,36,40H,13,16-17H2,1-6H3/b18-7-/t20-,24+,25-,26+,27-,29+,32-,33+,34+/m1/s1 |
| InChIKey | DGQIZQRUSHXSKY-MWWRDLDCSA-N |
| Mol Weight | 592.7 g/mol |
| Molecular Formula | C34H40O9 |
| Exact Mass | 592.267233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6HNXuNS4DLe |
|---|---|
| Name | 17-HYDROXY-INGENOL-3-ANGELATE-20-ACETATE-17-BENZOATE |
| Compound Number | 85 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H40O9 |
| InChI | InChI=1S/C34H40O9/c1-7-18(2)30(38)43-29-19(3)15-33-20(4)13-25-26(32(25,6)17-42-31(39)22-11-9-8-10-12-22)24(28(33)37)14-23(16-41-21(5)35)27(36)34(29,33)40/h7-12,14-15,20,24-27,29,36,40H,13,16-17H2,1-6H3/b18-7-/t20-,24+,25-,26+,27-,29+,32-,33+,34+/m1/s1 |
| InChIKey | DGQIZQRUSHXSKY-MWWRDLDCSA-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 | 592.686 g/mol |
| Sample ID | 69965 |
| Solvent | CDCl3 |