| SpectraBase Compound ID | 4yodwbIy0Cq |
|---|---|
| InChI | InChI=1S/C31H48O7/c1-26(25(37)38-6)11-13-31(24(35)36)14-12-29(4)18(19(31)15-26)7-8-22-27(2)16-20(33)23(34)28(3,17-32)21(27)9-10-30(22,29)5/h7,19-23,32-34H,8-17H2,1-6H3,(H,35,36)/t19?,20-,21?,22?,23-,26-,27-,28-,29+,30+,31-/m0/s1 |
| InChIKey | CYJWWQALTIKOAG-OVCHOKLOSA-N |
| Mol Weight | 532.7 g/mol |
| Molecular Formula | C31H48O7 |
| Exact Mass | 532.340004 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8U5TA8JOnGN |
|---|---|
| Name | PHYTOLACCAGENIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O7 |
| InChI | InChI=1S/C31H48O7/c1-26(25(37)38-6)11-13-31(24(35)36)14-12-29(4)18(19(31)15-26)7-8-22-27(2)16-20(33)23(34)28(3,17-32)21(27)9-10-30(22,29)5/h7,19-23,32-34H,8-17H2,1-6H3,(H,35,36)/t19?,20-,21?,22?,23-,26-,27-,28-,29+,30+,31-/m0/s1 |
| InChIKey | CYJWWQALTIKOAG-OVCHOKLOSA-N |
| Literature Reference Author | R.KASAI,T.OINAKA,C.-R.YANG,J.ZHOU,O.TANAKA |
| Literature Reference Citation | CHEM.PHARM.BULL.,35,1486(1987) |
| Literature Reference DOI | 10.1248/cpb.35.1486 |
| Molecular Weight | 532.718 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK225 |