| SpectraBase Compound ID | 5el5X6jcJId |
|---|---|
| InChI | InChI=1S/C31H38O9/c1-15-13-30-26(34)16(2)14-31(30,40-30)27(35)17(3)24(38-19(5)33)21-22(29(21,6)7)25(23(15)37-18(4)32)39-28(36)20-11-9-8-10-12-20/h8-13,16-17,21-26,34H,14H2,1-7H3/b15-13+/t16-,17-,21+,22-,23-,24+,25+,26-,30+,31+/m1/s1 |
| InChIKey | LUZIRMMIUVNGNO-APQZCZNQSA-N |
| Mol Weight | 554.6 g/mol |
| Molecular Formula | C31H38O9 |
| Exact Mass | 554.251583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IB5FQMAr6db |
|---|---|
| Name | 2,3-DIEPIINGOL-7,12-DIACETATE-8-BENZOATE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H38O9 |
| InChI | InChI=1S/C31H38O9/c1-15-13-30-26(34)16(2)14-31(30,40-30)27(35)17(3)24(38-19(5)33)21-22(29(21,6)7)25(23(15)37-18(4)32)39-28(36)20-11-9-8-10-12-20/h8-13,16-17,21-26,34H,14H2,1-7H3/b15-13+/t16-,17-,21+,22-,23-,24+,25+,26-,30+,31+/m1/s1 |
| InChIKey | LUZIRMMIUVNGNO-APQZCZNQSA-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 | 554.637 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP1457 |