Completing data — refresh the page later to see the latest
Basic information
- CAS
66421-47-4- Standard SMILES
O=C1OC2C3COC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(Oc5c(C(=O)O)cc(O)c(O)c5O)c(O)c4O)C(=O)OC2C(OC(=O)c2cc(O)c(O)c4c2C2C1=CC(=O)C(O)(O4)C2(O)O)C(OC(=O)c1cc(O)c(O)c(O)c1)O3- InChIKey
MWPRJJBXNINUTQ-UHFFFAOYSA-N- Molecular formula
- C48H32O32
- Average molar mass
- 1,120.752 g/mol
- Monoisotopic mass
- 1,120.08766886
Names & identifiers
- Preferred name
- Mallotusinic acid
- English name
- Mallotusinic acid
- Molecular formula
- C48H32O32
- Molecular weight
- 1120.75
Names & synonyms
Mallotusinic acidβ-D-Glucopyranose, cyclic 3→2:6→2'-[(1R)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate] cyclic 2→7:4→5-[(2R,6R)-3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate] 1-(3,4,5-trihydroxybenzoate)
Database identifiers
- CAS
66421-47-4- PubChem CID
- 16131237
- DTXSID
DTXSID201030301- ChEMBL
CHEMBL506817
Properties
Physicochemical properties
- Density
- 2.3 · 2.30±0.1 g/cm3(Predicted)
- pka
- 2.67 · 2.67±0.36(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…