| SpectraBase Compound ID | 7KAFMegC1YK |
|---|---|
| InChI | InChI=1S/C37H44O18/c1-17-27(53-30(43)12-10-23-9-11-26(49-19(3)39)28(13-23)45-7)14-24-25(35(44)46-8)15-48-36(31(17)24)55-37-34(52-22(6)42)33(51-21(5)41)32(50-20(4)40)29(54-37)16-47-18(2)38/h9-13,15,17,24,27,29,31-34,36-37H,14,16H2,1-8H3/b12-10+/t17-,24?,27-,29+,31?,32+,33-,34+,36?,37-/m0/s1 |
| InChIKey | GXYPSVVLDYOWFU-BGULLTDZSA-N |
| Mol Weight | 776.7 g/mol |
| Molecular Formula | C37H44O18 |
| Exact Mass | 776.252765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DXAqY7n3CVq |
|---|---|
| Name | 7-FERULOYLLOGANIN_PERACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H44O18 |
| InChI | InChI=1S/C37H44O18/c1-17-27(53-30(43)12-10-23-9-11-26(49-19(3)39)28(13-23)45-7)14-24-25(35(44)46-8)15-48-36(31(17)24)55-37-34(52-22(6)42)33(51-21(5)41)32(50-20(4)40)29(54-37)16-47-18(2)38/h9-13,15,17,24,27,29,31-34,36-37H,14,16H2,1-8H3/b12-10+/t17-,24?,27-,29+,31?,32+,33-,34+,36?,37-/m0/s1 |
| InChIKey | GXYPSVVLDYOWFU-BGULLTDZSA-N |
| Literature Reference Author | J.S.LEE,H.J.KIM,E.-R.WOO,Y.W.PARK,Y.S.LEE,H.PARK |
| Literature Reference Citation | PLANTA.MED.,67,99(2001) |
| Literature Reference DOI | 10.1055/s-2001-10623 |
| Molecular Weight | 776.746 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP1524 |