| SpectraBase Compound ID | 7wFmykpOQBU |
|---|---|
| InChI | InChI=1S/2C32H36O13/c2*33-21-12-13-22(20(15-21)16-42-31(39)32(40)14-6-5-11-24(32)34)43-30-27(45-29(38)19-9-3-4-10-19)26(36)25(35)23(44-30)17-41-28(37)18-7-1-2-8-18/h2*1,3,6-7,9,12-15,18-19,23,25-27,30,33,35-36,40H,2,4-5,8,10-11,16-17H2/t2*18?,19?,23-,25-,26+,27-,30-,32?/m11/s1 |
| InChIKey | BZIMALKXZUPHEB-UALQHLDISA-N |
| Mol Weight | 1257.3 g/mol |
| Molecular Formula | C64H72O26 |
| Exact Mass | 1256.431182 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9DU3BZ4MRYJ |
|---|---|
| Name | SCOLOPOSIDE-D;2-(2,6-DICYCLOPENT-2-ENOYL-BETA-GLUCOPYRANOSYLOXY)-7-(1-HYDROXY-6-OXOCYCLOHEX-3-ENOYL)-5-HYDROXYBENZYL-ALCOHOL |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H72O26 |
| InChI | InChI=1S/2C32H36O13/c2*33-21-12-13-22(20(15-21)16-42-31(39)32(40)14-6-5-11-24(32)34)43-30-27(45-29(38)19-9-3-4-10-19)26(36)25(35)23(44-30)17-41-28(37)18-7-1-2-8-18/h2*1,3,6-7,9,12-15,18-19,23,25-27,30,33,35-36,40H,2,4-5,8,10-11,16-17H2/t2*18?,19?,23-,25-,26+,27-,30-,32?/m11/s1 |
| InChIKey | BZIMALKXZUPHEB-UALQHLDISA-N |
| Literature Reference Author | K.SHAARI,P.G.WATERMAN |
| Literature Reference Citation | PHYTOCHEM.,36,1021(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90483-7 |
| Molecular Weight | 1257.260 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS26139 |