Corilagin
[(1S,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-21-yl] 3,4,5-trihydroxybenzoate
| Molecular Formula | C27H22O18 |
|---|---|
| Molecular Weight | 634.5 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 311.0 A2 |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 3 |
| Exact Mass | 634.0806 |
| Heavy Atoms | 45 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 23094-69-1 |
|---|---|
| SMILES | C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)O |
| InChIKey | TUSDEZXZIZRFGC-XIGLUPEJSA-N |
📖 Product Overview
Corilagin (CAS: 23094-69-1) is a chemical compound with molecular formula C27H22O18 and molecular weight 634.5 g/mol. Its IUPAC systematic name is [(1S,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-21-yl] 3,4,5-trihydroxybenzoate.
TUSDEZXZIZRFGC-XIGLUPEJSA-N.
SMILES: C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)O.
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