| SpectraBase Compound ID | 2ql6Umtwy0i |
|---|---|
| InChI | InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(40-20(5)35)23-24(31(23,7)8)27(25(16)39-19(4)34)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23+,24-,25-,26+,27+,29-,32+,33+/m1/s1 |
| InChIKey | VFPUAXFWMSVDLU-QBEZQWIXSA-N |
| Mol Weight | 596.7 g/mol |
| Molecular Formula | C33H40O10 |
| Exact Mass | 596.262147 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FX1N0vr0U1R |
|---|---|
| Name | 2,3-DIEPIINGOL-3,7,12-TRIACETATE-8-BENZOATE |
| Compound Number | 9A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40O10 |
| InChI | InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(40-20(5)35)23-24(31(23,7)8)27(25(16)39-19(4)34)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23+,24-,25-,26+,27+,29-,32+,33+/m1/s1 |
| InChIKey | VFPUAXFWMSVDLU-QBEZQWIXSA-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 | 596.675 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP1458 |