(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one,12,12a-dihydro-6a-hydroxy-8,9-dimethoxy-2-(1-methylethyl)-, (6aS-cis)-
Basic information
- CAS
111136-95-9- Standard SMILES
COc1cc2c(cc1OC)[C@@]1(O)C(=O)c3ccc4oc(C(C)C)cc4c3O[C@H]1CO2- InChIKey
RTQIPVGJXOYILU-REWPJTCUSA-N- Molecular formula
- C23H22O7
- Average molar mass
- 410.4 g/mol
- Monoisotopic mass
- 410.13655304
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-2-(1-methylethyl)-, (6aS-cis)-
- IUPAC
- (1S,13S)-13-hydroxy-16,17-dimethoxy-6-propan-2-yl-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
111136-95-9(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one,12,12a-dihydro-6a-hydroxy-8,9-dimethoxy-2-(1-methylethyl)-, (6aS-cis)-DTXSID80912011(6aS,12aS)-6a-Hydroxy-8,9-dimethoxy-2-(propan-2-yl)-12,12a-dihydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one6a-Hydroxy-8,9-dimethoxy-2-(propan-2-yl)-12,12a-dihydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one
Database identifiers
- CAS
111136-95-9- PubChem CID
- 183174
- DTXSID
DTXSID80912011
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 668
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