| SpectraBase Compound ID | 7EwEIDZw3G6 |
|---|---|
| InChI | InChI=1S/C38H44O19/c1-17-28(55-31(45)12-10-24-9-11-27(50-19(3)40)29(13-24)51-20(4)41)14-25-26(36(46)47-8)15-49-37(32(17)25)57-38-35(54-23(7)44)34(53-22(6)43)33(52-21(5)42)30(56-38)16-48-18(2)39/h9-13,15,17,25,28,30,32-35,37-38H,14,16H2,1-8H3/b12-10+/t17-,25+,28-,30-,32+,33-,34+,35-,37-,38+/m0/s1 |
| InChIKey | QWRMCPTVTPVIQY-DYODDGJESA-N |
| Mol Weight | 804.8 g/mol |
| Molecular Formula | C38H44O19 |
| Exact Mass | 804.247679 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BHUT0i8pAYr |
|---|---|
| Name | 7-CAFFEOYLLOGANIN-HEXAACETATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H44O19 |
| InChI | InChI=1S/C38H44O19/c1-17-28(55-31(45)12-10-24-9-11-27(50-19(3)40)29(13-24)51-20(4)41)14-25-26(36(46)47-8)15-49-37(32(17)25)57-38-35(54-23(7)44)34(53-22(6)43)33(52-21(5)42)30(56-38)16-48-18(2)39/h9-13,15,17,25,28,30,32-35,37-38H,14,16H2,1-8H3/b12-10+/t17-,25+,28-,30-,32+,33-,34+,35-,37-,38+/m0/s1 |
| InChIKey | QWRMCPTVTPVIQY-DYODDGJESA-N |
| Literature Reference Author | P.RASOANAIVO,C.GALEFFI,G.MULTARI,M.NICOLETTI |
| Literature Reference Citation | PLANTA.MED.,57,486(1991) |
| Literature Reference DOI | 10.1055/s-2006-960178 |
| Molecular Weight | 804.756 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP220 |