| SpectraBase Compound ID | JGjkx3eskyw |
|---|---|
| InChI | InChI=1S/C23H28O12/c1-9-14(25)6-12-13(20(29)30)7-33-22(16(9)12)35-23-19(28)18(27)17(26)15(34-23)8-32-21(31)10-2-4-11(24)5-3-10/h2-5,7,9,12,14-19,22-28H,6,8H2,1H3,(H,29,30)/t9-,12-,14+,15+,16-,17+,18-,19+,22+,23-/m1/s1 |
| InChIKey | MFWOJWBKCUMOEM-FSMRINCUSA-N |
| Mol Weight | 496.47 g/mol |
| Molecular Formula | C23H28O12 |
| Exact Mass | 496.158076 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3TImZb5g0sP |
|---|---|
| Name | AQUATICOSIDE-B;6'-O-PARA-HYDROXYBENZOYL-8-EPI-LOGANIC-ACID |
| Compound Number | 139 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H28O12 |
| InChI | InChI=1S/C23H28O12/c1-9-14(25)6-12-13(20(29)30)7-33-22(16(9)12)35-23-19(28)18(27)17(26)15(34-23)8-32-21(31)10-2-4-11(24)5-3-10/h2-5,7,9,12,14-19,22-28H,6,8H2,1H3,(H,29,30)/t9-,12-,14+,15+,16-,17+,18-,19+,22+,23-/m1/s1 |
| InChIKey | MFWOJWBKCUMOEM-FSMRINCUSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,159(2007) |
| Literature Reference DOI | 10.1248/cpb.55.159 |
| Molecular Weight | 496.468 g/mol |
| Sample ID | 37935 |
| Solvent | CD3OD |