| SpectraBase Compound ID | 4mupkNbH89Q |
|---|---|
| InChI | InChI=1S/C41H36O16/c42-27-16-18-29(26(20-27)21-53-40(50)41(51)31(44)19-17-28(43)35(41)57-38(49)25-14-8-3-9-15-25)54-39-33(46)32(45)34(56-37(48)24-12-6-2-7-13-24)30(55-39)22-52-36(47)23-10-4-1-5-11-23/h1-20,30-35,39,42,44-46,51H,21-22H2/t30-,31-,32-,33-,34-,35+,39-,41-/m1/s1 |
| InChIKey | ZHVRIJXGENVMQB-LDXHZHIHSA-N |
| Mol Weight | 784.7 g/mol |
| Molecular Formula | C41H36O16 |
| Exact Mass | 784.200335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DJ4Cb3SFL05 |
|---|---|
| Name | (REL)-2-(4,6-DIBENZOYL-BETA-D-GLUCOPYRANOSYLOXY)-7-(6-ALPHA-BENZOYLOXY-1-ALPHA,2-ALPHA-DIHYDROXY-5-OXOCYClOHEX-3-ENOYL)-5-HYDROXYBENZYL_ALCOHOL |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H36O16 |
| InChI | InChI=1S/C41H36O16/c42-27-16-18-29(26(20-27)21-53-40(50)41(51)31(44)19-17-28(43)35(41)57-38(49)25-14-8-3-9-15-25)54-39-33(46)32(45)34(56-37(48)24-12-6-2-7-13-24)30(55-39)22-52-36(47)23-10-4-1-5-11-23/h1-20,30-35,39,42,44-46,51H,21-22H2/t30-,31-,32-,33-,34-,35+,39-,41-/m1/s1 |
| InChIKey | ZHVRIJXGENVMQB-LDXHZHIHSA-N |
| Literature Reference Author | K.SHAARI,P.G.WATERMAN |
| Literature Reference Citation | PHYTOCHEM.,39,1415(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00136-U |
| Molecular Weight | 784.727 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ7846 |