| SpectraBase Compound ID | 6a2XtoW0uVy |
|---|---|
| InChI | InChI=1S/C27H34O13/c1-12-17(38-20(30)7-5-13-4-6-16(29)18(8-13)35-2)9-14-15(25(34)36-3)11-37-26(21(12)14)40-27-24(33)23(32)22(31)19(10-28)39-27/h4-8,11-12,14,17,19,21-24,26-29,31-33H,9-10H2,1-3H3/b7-5+/t12-,14?,17-,19+,21?,22+,23-,24+,26?,27-/m0/s1 |
| InChIKey | XOWVMKHUWDJUHZ-XGACOFQBSA-N |
| Mol Weight | 566.6 g/mol |
| Molecular Formula | C27H34O13 |
| Exact Mass | 566.199941 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4F4aBvjuiQe |
|---|---|
| Name | 7-FERULOYLLOGANIN(TRANS) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H34O13 |
| InChI | InChI=1S/C27H34O13/c1-12-17(38-20(30)7-5-13-4-6-16(29)18(8-13)35-2)9-14-15(25(34)36-3)11-37-26(21(12)14)40-27-24(33)23(32)22(31)19(10-28)39-27/h4-8,11-12,14,17,19,21-24,26-29,31-33H,9-10H2,1-3H3/b7-5+/t12-,14?,17-,19+,21?,22+,23-,24+,26?,27-/m0/s1 |
| InChIKey | XOWVMKHUWDJUHZ-XGACOFQBSA-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 | 566.559 g/mol |
| Solvent | CD3OD |
| Source File Reference | UIAP1522 |