| SpectraBase Compound ID | 1OEsZ69mVz2 |
|---|---|
| InChI | InChI=1S/C31H48O6/c1-26(25(36)37-6)13-15-31(24(34)35)16-14-29(4)19(20(31)17-26)7-8-22-27(2)11-10-23(33)28(3,18-32)21(27)9-12-30(22,29)5/h7,20-23,32-33H,8-18H2,1-6H3,(H,34,35)/t20-,21+,22+,23-,26-,27-,28-,29+,30+,31-/m0/s1 |
| InChIKey | YAGYBNOEVSEGSL-HGDAMUQJSA-N |
| Mol Weight | 516.7 g/mol |
| Molecular Formula | C31H48O6 |
| Exact Mass | 516.345089 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4zg5OV2hLyw |
|---|---|
| Name | PHYTOLACCAGENIC-ACID |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O6 |
| InChI | InChI=1S/C31H48O6/c1-26(25(36)37-6)13-15-31(24(34)35)16-14-29(4)19(20(31)17-26)7-8-22-27(2)11-10-23(33)28(3,18-32)21(27)9-12-30(22,29)5/h7,20-23,32-33H,8-18H2,1-6H3,(H,34,35)/t20-,21+,22+,23-,26-,27-,28-,29+,30+,31-/m0/s1 |
| InChIKey | YAGYBNOEVSEGSL-HGDAMUQJSA-N |
| Literature Reference Author | A.STRAUSS,S.M.SPENGEL,W.SCHAFFNER |
| Literature Reference Citation | PHYTOCHEM.,38,861(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00749-J |
| Molecular Weight | 516.719 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS3746 |