| SpectraBase Compound ID | 4MT2gepOjGD |
|---|---|
| InChI | InChI=1S/C31H40O8/c1-18-13-14-30(6,7)26(37-21(4)32)16-25(39-29(35)23-11-9-8-10-12-23)19(2)15-24-27(38-22(5)33)20(3)17-31(24,36)28(18)34/h8-13,15,20,24-27,36H,14,16-17H2,1-7H3/b18-13+,19-15+/t20-,24-,25+,26+,27-,31+/m0/s1 |
| InChIKey | UAKCWZDVHJZVRU-DFICWMDASA-N |
| Mol Weight | 540.7 g/mol |
| Molecular Formula | C31H40O8 |
| Exact Mass | 540.272318 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A1nxYzNaCay |
|---|---|
| Name | PUBESCENE_C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H40O8 |
| InChI | InChI=1S/C31H40O8/c1-18-13-14-30(6,7)26(37-21(4)32)16-25(39-29(35)23-11-9-8-10-12-23)19(2)15-24-27(38-22(5)33)20(3)17-31(24,36)28(18)34/h8-13,15,20,24-27,36H,14,16-17H2,1-7H3/b18-13+,19-15+/t20-,24-,25+,26+,27-,31+/m0/s1 |
| InChIKey | UAKCWZDVHJZVRU-DFICWMDASA-N |
| Literature Reference Author | C.VALENTE,M.J.U.FERREIRA,P.M.ABREU,M.PEDRO,F.CERQUEIRA,M.S.J .NASCIMENTO |
| Literature Reference Citation | PLANTA.MED.,69,361(2003) |
| Literature Reference DOI | 10.1055/s-2003-38875 |
| Molecular Weight | 540.654 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP1935 |