| SpectraBase Compound ID | DS7OPe5uEV4 |
|---|---|
| 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-/m1/s1 |
| InChIKey | CYJWWQALTIKOAG-WPDVTKFDSA-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 | 8bc6qdtF7q2 |
|---|---|
| Name | Phytolaccagenin |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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-/m1/s1 |
| InChIKey | CYJWWQALTIKOAG-WPDVTKFDSA-N |
| Instrument Name | SF = 100 MHz |
| Literature Reference | Chem. Pharm. Bull. 35, 1486 (1987). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |