| SpectraBase Compound ID | 3bNh6lpMZES |
|---|---|
| InChI | InChI=1S/C36H42O10/c1-8-19(2)32(40)43-17-25-15-26-28-27(34(28,7)18-44-33(41)24-12-10-9-11-13-24)14-21(4)35(29(26)39)16-20(3)30(45-22(5)37)36(35,42)31(25)46-23(6)38/h8-13,15-16,21,26-28,30-31,42H,14,17-18H2,1-7H3/b19-8-/t21-,26+,27-,28+,30+,31-,34-,35+,36-/m1/s1 |
| InChIKey | PSLZVHPAJGFFCU-YOOAMOMQSA-N |
| Mol Weight | 634.7 g/mol |
| Molecular Formula | C36H42O10 |
| Exact Mass | 634.277798 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2TjhAWYlOPL |
|---|---|
| Name | 17-HYDROXYINGENOL-3,5-DIACETATE-17-BENZOATE-20-ACETATE |
| Compound Number | 8A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H42O10 |
| InChI | InChI=1S/C36H42O10/c1-8-19(2)32(40)43-17-25-15-26-28-27(34(28,7)18-44-33(41)24-12-10-9-11-13-24)14-21(4)35(29(26)39)16-20(3)30(45-22(5)37)36(35,42)31(25)46-23(6)38/h8-13,15-16,21,26-28,30-31,42H,14,17-18H2,1-7H3/b19-8-/t21-,26+,27-,28+,30+,31-,34-,35+,36-/m1/s1 |
| InChIKey | PSLZVHPAJGFFCU-YOOAMOMQSA-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 | 634.723 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP1456 |