![SCROCAFFESIDE-B;4-O-[6-O-[4-O-(BETA-D-GLUCOPYRANOSYL)-(E)-CAFFEOYL]-BETA-D-GLUCOPYRANOSYL]-(E)-CAFFEIC-ACID](/api/spectrum/3xJRRmbg2y/structure.png?h=300&w=458 "SCROCAFFESIDE-B;4-O-[6-O-[4-O-(BETA-D-GLUCOPYRANOSYL)-(E)-CAFFEOYL]-BETA-D-GLUCOPYRANOSYL]-(E)-CAFFEIC-ACID")
| SpectraBase Compound ID | dgZif3qm2E |
|---|---|
| InChI | InChI=1S/C30H34O17/c31-11-19-23(37)25(39)27(41)29(46-19)44-17-6-2-14(10-16(17)33)4-8-22(36)43-12-20-24(38)26(40)28(42)30(47-20)45-18-5-1-13(9-15(18)32)3-7-21(34)35/h1-10,19-20,23-33,37-42H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,24-,25+,26+,27-,28-,29-,30-/m0/s1 |
| InChIKey | GUGIRXWFFSXGNV-NFDBNKDMSA-N |
| Mol Weight | 666.6 g/mol |
| Molecular Formula | C30H34O17 |
| Exact Mass | 666.1796 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3xJRRmbg2y |
|---|---|
| Name | SCROCAFFESIDE-B;4-O-[6-O-[4-O-(BETA-D-GLUCOPYRANOSYL)-(E)-CAFFEOYL]-BETA-D-GLUCOPYRANOSYL]-(E)-CAFFEIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H34O17 |
| InChI | InChI=1S/C30H34O17/c31-11-19-23(37)25(39)27(41)29(46-19)44-17-6-2-14(10-16(17)33)4-8-22(36)43-12-20-24(38)26(40)28(42)30(47-20)45-18-5-1-13(9-15(18)32)3-7-21(34)35/h1-10,19-20,23-33,37-42H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,24-,25+,26+,27-,28-,29-,30-/m0/s1 |
| InChIKey | GUGIRXWFFSXGNV-NFDBNKDMSA-N |
| Literature Reference Author | T.F.ZHU,K.Y.HUANG,X.M.DENG,Y.ZHANG,H.XIANG,H.Y.GAO,D.C.WANG |
| Literature Reference Citation | MOLECULES,13,729(2008) |
| Literature Reference DOI | 10.3390/molecules13040729 |
| Molecular Weight | 666.590 g/mol |
| Sample ID | 38521 |
| Solvent | DMSO-D6 |