| SpectraBase Compound ID | LLlInj3aD0c |
|---|---|
| InChI | InChI=1S/C37H40O18/c1-19(38)46-15-14-27-9-12-29(31(17-27)50-22(4)41)54-37-36(53-25(7)44)35(52-24(6)43)34(51-23(5)42)32(55-37)18-47-33(45)13-10-26-8-11-28(48-20(2)39)30(16-26)49-21(3)40/h8-13,16-17,32,34-37H,14-15,18H2,1-7H3/b13-10+/t32-,34-,35+,36-,37-/m1/s1 |
| InChIKey | VXTYIYXXHMUFFP-JVQQWLOESA-N |
| Mol Weight | 772.7 g/mol |
| Molecular Formula | C37H40O18 |
| Exact Mass | 772.221464 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9rh2EwYploq |
|---|---|
| Name | 2-HYDROXY-4-(2-HYDROXYETHYL)-PHENYL-6-O-TRANS-CAFFEOYL-BETA-D-GLUCOPYRANOSIDE-HEPTAACETATE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H40O18 |
| InChI | InChI=1S/C37H40O18/c1-19(38)46-15-14-27-9-12-29(31(17-27)50-22(4)41)54-37-36(53-25(7)44)35(52-24(6)43)34(51-23(5)42)32(55-37)18-47-33(45)13-10-26-8-11-28(48-20(2)39)30(16-26)49-21(3)40/h8-13,16-17,32,34-37H,14-15,18H2,1-7H3/b13-10+/t32-,34-,35+,36-,37-/m1/s1 |
| InChIKey | VXTYIYXXHMUFFP-JVQQWLOESA-N |
| Literature Reference Author | M.SUGIYAMA,M.KIKUCHI |
| Literature Reference Citation | PHYTOCHEM.,30,3147(1991) |
| Literature Reference DOI | 10.1016/S0031-9422(00)98275-X |
| Molecular Weight | 772.714 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN31087 |