| SpectraBase Compound ID | 4Fo6nhnN8Pw |
|---|---|
| InChI | InChI=1S/C32H34O17/c33-17-5-1-15(9-19(17)35)3-7-25(39)47-23-13-31(46,11-21(37)27(23)41)30(45)49-32(29(43)44)12-22(38)28(42)24(14-32)48-26(40)8-4-16-2-6-18(34)20(36)10-16/h1-10,21-24,27-28,33-38,41-42,46H,11-14H2,(H,43,44)/b7-3+,8-4+/t21-,22-,23-,24-,27-,28+,31+,32-/m0/s1 |
| InChIKey | HHSJADVFUKSUAJ-BXKPJJICSA-N |
| Mol Weight | 690.6 g/mol |
| Molecular Formula | C32H34O17 |
| Exact Mass | 690.1796 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H35OiIfv9Be |
|---|---|
| Name | 1'-O-CHLOROGENOYLNEOCHLOROGENIC_ACID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H34O17 |
| InChI | InChI=1S/C32H34O17/c33-17-5-1-15(9-19(17)35)3-7-25(39)47-23-13-31(46,11-21(37)27(23)41)30(45)49-32(29(43)44)12-22(38)28(42)24(14-32)48-26(40)8-4-16-2-6-18(34)20(36)10-16/h1-10,21-24,27-28,33-38,41-42,46H,11-14H2,(H,43,44)/b7-3+,8-4+/t21-,22-,23-,24-,27-,28+,31+,32-/m0/s1 |
| InChIKey | HHSJADVFUKSUAJ-BXKPJJICSA-N |
| Literature Reference Author | S.PAPAJEWSKI,B.VOGLER,J.CONRAD,I.KLAIBER,G.ROOS,C.U.WALTER,R .SUESSMUTH,W.KRAUS |
| Literature Reference Citation | PLANTA.MED.,67,732(2001) |
| Literature Reference DOI | 10.1055/s-2001-18338 |
| Molecular Weight | 690.612 g/mol |
| Solvent | CD3OD |
| Source File Reference | UIAP1623 |