(6Ar,11ar)-3-methoxy-6a,11a-dihydro-6h-(1)benzoxolo(3,2-c)chromene-1,9-diol
Basic information
- CAS
92358-41-3- Standard SMILES
COc1cc(O)c2c(c1)OC[C@H]1c3ccc(O)cc3O[C@@H]21- InChIKey
WEVPCLOHVKGGEZ-MEDUHNTESA-N- Molecular formula
- C16H14O5
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.08412354
Names & identifiers
- Preferred name
- (6Ar,11ar)-3-methoxy-6a,11a-dihydro-6h-(1)benzoxolo(3,2-c)chromene-1,9-diol
- IUPAC
- (6aR,11aR)-3-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-1,9-diol
- English name
- (6aR)-6aα,11aα-Dihydro-3-methoxy-6H-benzofuro[3,2-c][1]benzopyran-1,9-diol
- Molecular formula
- C16H14O5
- Molecular weight
- 286.28
Names & synonyms
92358-41-3(6ar,11ar)-3-methoxy-6a,11a-dihydro-6h-(1)benzoxolo(3,2-c)chromene-1,9-diolDTXSID00919224LMPK12070105(6aR,11aR)-1,9-Dihydroxy-3-methoxypterocarpan3-Methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c][1]benzopyran-1,9-diol(6aR,11aR)-3-Methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c][1]benzopyran-1,9-diolDesmocarpin(6aR)-6aα,11aα-Dihydro-3-methoxy-6H-benzofuro[3,2-c][1]benzopyran-1,9-diol6H-Benzofuro[3,2-c][1]benzopyran-1,9-diol, 6a,11a-dihydro-3-methoxy-, (6aR,11aR)-
Database identifiers
- CAS
92358-41-3- PubChem CID
- 185161
- DTXSID
DTXSID00919224- Nikkaji
- J156.713F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 389
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Pterocarpans [PK1207]
Physicochemical properties
- Boiling point
- 424.4 · 424.4±45.0 °C(Predicted)
- Density
- 1.408 · 1.408±0.06 g/cm3(Predicted)
- pka
- 8.78 · 8.78±0.20(Predicted)
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Compound notes
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