1,3-Dihydro-1-hydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-7H-isobenzofuro(4,5-b)(1,4)benzodioxepin-11-carbaldehyde
Basic information
- CAS
26724-10-7- Standard SMILES
COc1cc(C)c2c(c1C=O)Oc1c(c(C)cc3c1C(O)OC3=O)OC2=O- InChIKey
QCXJLIINTHHTBS-UHFFFAOYSA-N- Molecular formula
- C19H14O8
- Average molar mass
- 370.3 g/mol
- Monoisotopic mass
- 370.0688674
Names & identifiers
- Preferred name
- 1,3-Dihydro-1-hydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-7H-isobenzofuro(4,5-b)(1,4)benzodioxepin-11-carbaldehyde
- IUPAC
- 17-hydroxy-5-methoxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde
Names & synonyms
26724-10-7EINECS 247-945-71,3-Dihydro-1-hydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-7H-isobenzofuro(4,5-b)(1,4)benzodioxepin-11-carbaldehydeDTXSID10949537QCXJLIINTHHTBS-UHFFFAOYSA-NNS000506341-Hydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,3-dihydro-7H-2,6,12-trioxabenzo[5,6]cyclohepta[1,2-e]indene-11-carbaldehyde
Database identifiers
- CAS
26724-10-7- PubChem CID
- 56842005
- DTXSID
DTXSID10949537- EC Number
- 247-945-7
- Nikkaji
- J249.021H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 635
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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