Basic information
- CAS
4440-77-1- Standard SMILES
COc1cc2oc(=O)c3oc4c5c(ccc4c(=O)c3c2cc1OC)OC(C)(C)CC5- InChIKey
CPQIWNBUWLEACC-UHFFFAOYSA-N- Molecular formula
- C23H20O7
- Average molar mass
- 408.4 g/mol
- Monoisotopic mass
- 408.12090297
Names & identifiers
- Preferred name
- 1H-Bis(1)benzopyrano(3,4-b:6'5'-e)pyran-7,13-dione, 2,3-dihydro-9,10-dimethoxy-3,3-dimethyl-
- IUPAC
- 17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),10,15,17,19-heptaene-13,22-dione
Names & synonyms
beta-Rotenone, dihydro-1H-Bis(1)benzopyrano(3,4-b:6'5'-e)pyran-7,13-dione, 2,3-dihydro-9,10-dimethoxy-3,3-dimethyl-DTXSID201961562,3-Dihydro-9,10-dimethoxy-3,3-dimethyl-1H-bis(1)benzopyrano(3,4-b:6'5'-e)pyran-7,13-dioneRefChem:237682DTXCID30118647beta-Dihydrorotenone4440-77-19,10-Dimethoxy-3,3-dimethyl-2,3-dihydro-1H-[1]benzopyrano[4',3':5,6]pyrano[2,3-f][1]benzopyran-7,13-dione
Database identifiers
- CAS
4440-77-1- PubChem CID
- 6451997
- DTXSID
DTXSID20196156
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 772
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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