| SpectraBase Compound ID | 1p9CKuVYpMs |
|---|---|
| InChI | InChI=1S/C25H40O6/c1-7-20(6)24(28)31-23-21(26)16-30-25(22(23)27)29-15-14-19(5)13-9-12-18(4)11-8-10-17(2)3/h7,10,12,14,21-23,25-27H,8-9,11,13,15-16H2,1-6H3/b18-12+,19-14+,20-7-/t21-,22-,23+,25-/m1/s1 |
| InChIKey | NPHCDNCRMLQFFQ-GCLGQBRVSA-N |
| Mol Weight | 436.6 g/mol |
| Molecular Formula | C25H40O6 |
| Exact Mass | 436.282489 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5754ousexIm |
|---|---|
| Name | PANCHERIN-A;1'-O-FARNESYL-3'-ANGELOYL-BETA-D-XYLOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H40O6 |
| InChI | InChI=1S/C25H40O6/c1-7-20(6)24(28)31-23-21(26)16-30-25(22(23)27)29-15-14-19(5)13-9-12-18(4)11-8-10-17(2)3/h7,10,12,14,21-23,25-27H,8-9,11,13,15-16H2,1-6H3/b18-12+,19-14+,20-7-/t21-,22-,23+,25-/m1/s1 |
| InChIKey | NPHCDNCRMLQFFQ-GCLGQBRVSA-N |
| Literature Reference Author | V.EPARVIER,O.THOISON,H.BOUSSEROUEL,F.GUERITTE,T.SEVENET,M.LI TAUDON |
| Literature Reference Citation | PHYTOCHEM.,68,604(2007) |
| Literature Reference DOI | 10.1016/j.phytochem.2006.11.008 |
| Molecular Weight | 436.589 g/mol |
| Sample ID | 62464 |
| Solvent | CDCl3 |