9-Chloro-8-hydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione
Basic information
- CAS
64398-29-4- Standard SMILES
COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)C1C(O2)OC(O)C1Cl- InChIKey
PERVHTWSYVCZLN-UHFFFAOYSA-N- Molecular formula
- C17H13ClO7
- Average molar mass
- 364.7 g/mol
- Monoisotopic mass
- 364.0349804
Names & identifiers
- Preferred name
- 9-Chloro-8-hydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione
- IUPAC
- 4-chloro-5-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione
Names & synonyms
DTXSID409829529-Chloro-8-hydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione
Database identifiers
- CAS
64398-29-4- PubChem CID
- 149203
- DTXSID
DTXSID40982952
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 676
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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