Methyl 9-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-oxo-1,3,3a,4,9,9a-hexahydronaphtho[2,3-c]furan-5-sulfonate
Basic information
- CAS
810-14-0- Standard SMILES
COc1ccc(C2c3cc(OC)c(OC)c(S(=O)(=O)OC)c3CC3C(=O)OCC32)cc1OC- InChIKey
RINMPOBBPDDHTB-UHFFFAOYSA-N- Molecular formula
- C23H26O9S
- Average molar mass
- 478.5 g/mol
- Monoisotopic mass
- 478.12975358
Names & identifiers
- Preferred name
- Methyl 9-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-oxo-1,3,3a,4,9,9a-hexahydronaphtho[2,3-c]furan-5-sulfonate
- IUPAC
- methyl 9-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-oxo-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-5-sulfonate
Names & synonyms
810-14-0NSC 80438methyl 9-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-oxo-1,3,3a,4,9,9a-hexahydronaphtho[2,3-c]furan-5-sulfonateNSC80438DTXSID10292136NSC-80438
Database identifiers
- CAS
810-14-0- PubChem CID
- 255180
- DTXSID
DTXSID10292136
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 796
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Compound notes
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