(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one,12,12a-dihydro-6a-hydroxy-8,9-dimethoxy-, (6aS-cis)-
Basic information
- CAS
111058-83-4- Standard SMILES
COc1cc2c(cc1OC)[C@@]1(O)C(=O)c3ccc4occc4c3O[C@H]1CO2- InChIKey
KHAJUSVOOGYFIJ-PXNSSMCTSA-N- Molecular formula
- C20H16O7
- Average molar mass
- 368.3 g/mol
- Monoisotopic mass
- 368.08960285
Overview
(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one,12,12a-dihydro-6a-hydroxy-8,9-dimethoxy-, (6aS-cis)- has been reported in Derris montana, Derris trifoliata, and other organisms with data available.
Names & identifiers
- Preferred name
- (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one,12,12a-dihydro-6a-hydroxy-8,9-dimethoxy-, (6aS-cis)-
- IUPAC
- (1S,13S)-13-hydroxy-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14,16,18-heptaen-12-one
Names & synonyms
(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one,12,12a-dihydro-6a-hydroxy-8,9-dimethoxy-, (6aS-cis)-111058-83-4
Database identifiers
- CAS
111058-83-4- PubChem CID
- 183157
- Nikkaji
- J2.308.637I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 597
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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