| SpectraBase Compound ID | JyGoYBuk8ma |
|---|---|
| InChI | InChI=1S/C33H40O18/c1-44-19-10-16(4-7-18(19)36)5-8-24(37)47-14-23-27(40)29(42)30(43)32(48-23)51-33(15-35)31(28(41)22(13-34)50-33)49-25(38)9-6-17-11-20(45-2)26(39)21(12-17)46-3/h4-12,22-23,27-32,34-36,39-43H,13-15H2,1-3H3/b8-5+,9-6+/t22-,23+,27+,28-,29-,30+,31+,32+,33+/m1/s1 |
| InChIKey | WERMVJDMIWCEOV-GEIKUHDTSA-N |
| Mol Weight | 724.7 g/mol |
| Molecular Formula | C33H40O18 |
| Exact Mass | 724.221464 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5AnaEu6AWBj |
|---|---|
| Name | 3'-SINAPOYL-6-FERULOYLSUCROSE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40O18 |
| InChI | InChI=1S/C33H40O18/c1-44-19-10-16(4-7-18(19)36)5-8-24(37)47-14-23-27(40)29(42)30(43)32(48-23)51-33(15-35)31(28(41)22(13-34)50-33)49-25(38)9-6-17-11-20(45-2)26(39)21(12-17)46-3/h4-12,22-23,27-32,34-36,39-43H,13-15H2,1-3H3/b8-5+,9-6+/t22-,23+,27+,28-,29-,30+,31+,32+,33+/m1/s1 |
| InChIKey | WERMVJDMIWCEOV-GEIKUHDTSA-N |
| Literature Reference Author | C.C.CHEN,Y.L.HUANG,F.I.HUANG,C.W.WANG,J.C.OU |
| Literature Reference Citation | J.NAT.PROD.,64,990(2001) |
| Literature Reference DOI | 10.1021/np000582y |
| Molecular Weight | 724.670 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI1699 |