| SpectraBase Compound ID | 4xOzIfmVNx5 |
|---|---|
| InChI | InChI=1S/C30H46O6/c1-25(23(33)34)12-14-30(24(35)36)15-13-28(4)18(19(30)16-25)6-7-21-26(2)10-9-22(32)27(3,17-31)20(26)8-11-29(21,28)5/h6,19-22,31-32H,7-17H2,1-5H3,(H,33,34)(H,35,36)/t19?,20?,21?,22-,25+,26+,27+,28-,29-,30+/m1/s1 |
| InChIKey | CLXOLTFMHAXJST-RQHZMOGISA-N |
| Mol Weight | 502.7 g/mol |
| Molecular Formula | C30H46O6 |
| Exact Mass | 502.329439 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | OHzfTvnkZa |
|---|---|
| Name | PHYTOLACCAGENIC-ACID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O6 |
| InChI | InChI=1S/C30H46O6/c1-25(23(33)34)12-14-30(24(35)36)15-13-28(4)18(19(30)16-25)6-7-21-26(2)10-9-22(32)27(3,17-31)20(26)8-11-29(21,28)5/h6,19-22,31-32H,7-17H2,1-5H3,(H,33,34)(H,35,36)/t19?,20?,21?,22-,25+,26+,27+,28-,29-,30+/m1/s1 |
| InChIKey | CLXOLTFMHAXJST-RQHZMOGISA-N |
| Literature Reference Author | S.S.KANG,W.S.WOO |
| Literature Reference Citation | PLANTA.MED.,53,338(1987) |
| Literature Reference DOI | 10.1055/s-2006-962732 |
| Molecular Weight | 502.692 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK264 |