Basic information
- CAS
175448-30-3- Standard SMILES
CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2(O)CO1- InChIKey
AJQIMDBOBJADCM-NJHPPEEMSA-N- Molecular formula
- C21H25ClO6
- Average molar mass
- 408.9 g/mol
- Monoisotopic mass
- 408.1339662
Overview
Isochromophilone VII is an azaphilone.
Names & identifiers
- Preferred name
- Isochromophilone VII
- IUPAC
- [5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-8a-hydroxy-7-methyl-6,8-dioxo-1H-isochromen-7-yl] acetate
Names & synonyms
Isochromophilone VII175448-30-3[5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-8a-hydroxy-7-methyl-6,8-dioxo-1H-isochromen-7-yl] acetate5-chloro-3-(3',5'-dimethyl-1',3'-heptadienyl)-1,7,8a-trihydro-7,8a-dihydroxy-7-methyl-6H-2-benzopyran-6,8(7H)-dione 7-acetate(5-chloro-3-((1E,3E)-3,5-dimethylhepta-1,3-dienyl)-8a-hydroxy-7-methyl-6,8-dioxo-1H-isochromen-7-yl) acetateRefChem:149179CHEBI:2098621H-2-Benzopyran-6,8(7H,8aH)-dione, 7-(acetyloxy)-5-chloro-3-(3,5-dimethyl-1,3-heptadienyl)-8a-hydroxy-7-methyl-
Database identifiers
- CAS
175448-30-3- PubChem CID
- 6443571
- ChEBI
CHEBI:209862- Nikkaji
- J739.512D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 834
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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