| SpectraBase Compound ID | BeAaB9eBhrA |
|---|---|
| InChI | InChI=1S/C30H44O9/c1-10-11-26(34)38-24-15-25(36-20(5)31)29(8,9)13-12-17(2)28(35)30(39-22(7)33)16-19(4)27(37-21(6)32)23(30)14-18(24)3/h12,14,19,23-25,27H,10-11,13,15-16H2,1-9H3/b17-12+,18-14+/t19-,23-,24+,25+,27-,30+/m0/s1 |
| InChIKey | SPTLPXYWCRWOMK-NQGOEUJPSA-N |
| Mol Weight | 548.7 g/mol |
| Molecular Formula | C30H44O9 |
| Exact Mass | 548.298533 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5rMcI85SbMF |
|---|---|
| Name | PUBESCENE_B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H44O9 |
| InChI | InChI=1S/C30H44O9/c1-10-11-26(34)38-24-15-25(36-20(5)31)29(8,9)13-12-17(2)28(35)30(39-22(7)33)16-19(4)27(37-21(6)32)23(30)14-18(24)3/h12,14,19,23-25,27H,10-11,13,15-16H2,1-9H3/b17-12+,18-14+/t19-,23-,24+,25+,27-,30+/m0/s1 |
| InChIKey | SPTLPXYWCRWOMK-NQGOEUJPSA-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 | 548.674 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP1934 |