![ISOCHEBULIC-ACID;(3S,4S)-4-[(R)-CARBOXY-(HYDROXY)-METHYL]-3-(CARBOXYMETHYL)-3,4-DIHYDRO-7,8-DIHYDROXY-2-OXO-2H-[1]-BENZOPYRAN-5-CARBOXYLIC-ACID](/api/spectrum/8b76phPwugX/structure.png?h=300&w=458 "ISOCHEBULIC-ACID;(3S,4S)-4-[(R)-CARBOXY-(HYDROXY)-METHYL]-3-(CARBOXYMETHYL)-3,4-DIHYDRO-7,8-DIHYDROXY-2-OXO-2H-[1]-BENZOPYRAN-5-CARBOXYLIC-ACID")
| SpectraBase Compound ID | 8ERiIZPLPyi |
|---|---|
| InChI | InChI=1S/2C14H12O11/c2*15-5-1-3(12(20)21)8-7(10(19)13(22)23)4(2-6(16)17)14(24)25-11(8)9(5)18/h2*1,4,7,10,15,18-19H,2H2,(H,16,17)(H,20,21)(H,22,23)/t2*4-,7-,10+/m00/s1 |
| InChIKey | OSDGCVRJBWPKHC-HSAOXQNLSA-N |
| Mol Weight | 712.48 g/mol |
| Molecular Formula | C28H24O22 |
| Exact Mass | 712.075922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8b76phPwugX |
|---|---|
| Name | ISOCHEBULIC-ACID;(3S,4S)-4-[(R)-CARBOXY-(HYDROXY)-METHYL]-3-(CARBOXYMETHYL)-3,4-DIHYDRO-7,8-DIHYDROXY-2-OXO-2H-[1]-BENZOPYRAN-5-CARBOXYLIC-ACID |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H24O22 |
| InChI | InChI=1S/2C14H12O11/c2*15-5-1-3(12(20)21)8-7(10(19)13(22)23)4(2-6(16)17)14(24)25-11(8)9(5)18/h2*1,4,7,10,15,18-19H,2H2,(H,16,17)(H,20,21)(H,22,23)/t2*4-,7-,10+/m00/s1 |
| InChIKey | OSDGCVRJBWPKHC-HSAOXQNLSA-N |
| Literature Reference Author | Y.ZHANG,D.L.DEWITT,S.MURUGESAN,M.G.NAIR |
| Literature Reference Citation | CHEM.BIODIV.,1,426(2004) |
| Literature Reference DOI | 10.1002/cbdv.200490036 |
| Molecular Weight | 712.485 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU21642 |