| 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 | 9vEnAmQxTsk |
|---|---|
| Name | 17-HYDROXYINGENOL-3-ANGELATE-20-ACETATE-17-BENZOATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 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 | J.A.MARCO,J.F.SANZ-CERVERA,A.YUSTE |
| Literature Reference Citation | PHYTOCHEM.,45,563(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00018-6 |
| Molecular Weight | 592.686 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP1450 |