Nepseudin
Basic information
- CAS
20848-57-1- Standard SMILES
COc1ccc(C2COc3cc4occc4cc3C2=O)c(OC)c1OC- InChIKey
PWEWBHDLPRFGPA-UHFFFAOYSA-N- Molecular formula
- C20H18O6
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.11033829
Names & identifiers
- Preferred name
- Nepseudin
- IUPAC
- 6-(2,3,4-trimethoxyphenyl)-6,7-dihydrofuro[3,2-g]chromen-5-one
- English name
- 6,7-Dihydro-6-(2,3,4-trimethoxyphenyl)-5H-furo[3,2-g][1]benzopyran-5-one
- Molecular formula
- C20H18O6
- Molecular weight
- 354.35
Names & synonyms
NEPSEUDIN20848-57-1DTXSID903205626-(2,3,4-trimethoxyphenyl)-6,7-dihydrofuro[3,2-g]chromen-5-one6-(2,3,4-trimethoxyphenyl)-6,7-dihydrofuro(3,2-g)chromen-5-oneRefChem:165483DTXCID70271684LMPK12050455NSC3614146,7-Dihydro-6-(2,3,4-trimethoxyphenyl)-5H-furo[3,2-g][1]benzopyran-5-oneNSC-361414DB-296394
Show more names
5H-Furo[3,2-g][1]benzopyran-5-one, 6,7-dihydro-6-(2,3,4-trimethoxyphenyl)-
6,7-Dihydro-6-(2,3,4-trimethoxyphenyl )-5h-furo[3,2-g][1]benzopyran-5-one6-(2,3,4-Trimethoxyphenyl)-6,7-dihydro-5H-furo[3,2-g][1]benzopyran-5-one
Database identifiers
- CAS
20848-57-1- PubChem CID
- 338491
- DTXSID
DTXSID90320562- Nikkaji
- J19.984B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 511
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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