| Identification | Back Directory | [Name]
FUMARPROTOCETRARIC ACID | [CAS]
489-50-9 | [Synonyms]
FUMARPROTOCETRARIC ACID
Fumarylprotocetraric acid
FUMARPROTOCETRARIC ACID(RG)
[(7-carboxy-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-9-yl)methyl] hydrogen fumarate
9-(3-Carboxy-acryloyloximethyl)-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[B,E][1,4]dioxepin-7-carboxylic acid
But-2-enedioic acid mono-(7-carboxy-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[B,E][1,4]dioxepin-9-ylmethyl) ester
2-Butenedioic acid, mono[(7-carboxy-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[B,E][1,4]dioxepin-9-yl)methyl] ester, (2E)-
9-({[(2E)-3-Carboxyprop-2-enoyl]oxy}methyl)-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[B,E][1,4]dioxepine-7-carboxylic acid
(E)-2-Butenedioic acid hydrogen 1-[(7-carboxy-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-9-yl)methyl] ester
4-Formyl-3,8-dihydroxy-9-[[[(E)-4-hydroxy-1,4-dioxo-2-butenyl]oxy]methyl]-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
Inchi=1/C22H16o12/C1-8-5-12(24)10(6-23)19-15(8)22(31)34-20-11(7-32-14(27)4-3-13(25)26)17(28)16(21(29)30)9(2)18(20)33-19/H3-6,24,28H,7H2,1-2H3,(H,25,26)(H,29,30)/B4-3 | [EINECS(EC#)]
207-698-8 | [Molecular Formula]
C22H16O12 | [MDL Number]
MFCD00016760 | [MOL File]
489-50-9.mol | [Molecular Weight]
472.36 |
| Chemical Properties | Back Directory | [Melting point ]
250～260℃ | [Boiling point ]
805.7±65.0 °C(Predicted) | [density ]
1.628±0.06 g/cm3(Predicted) | [storage temp. ]
-20°C | [form ]
solid | [pka]
2.12±0.20(Predicted) | [InChIKey]
VEGGRTFDFMUBPD-ONEGZZNKSA-N | [SMILES]
O1c2c(c(c(c(c2C)C(=O)O)O)COC(=O)\C=C\C(=O)O)OC(=O)c3c1c(c(cc3C)O)C=O | [LogP]
4.693 (est) |
|
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