4H-Dibenzo[de,g]quinoline-2,9-diol, 6-acetyl-5,6,6a,7-tetrahydro-1,10-dimethoxy-, diacetate (ester), (S)-
Basic information
- CAS
5890-20-0- Standard SMILES
COc1cc2c(cc1OC(C)=O)C[C@H]1c3c(cc(OC(C)=O)c(OC)c3-2)CCN1C(C)=O- InChIKey
DGSUBFTXARZZHC-SFHVURJKSA-N- Molecular formula
- C24H25NO7
- Average molar mass
- 439.5 g/mol
- Monoisotopic mass
- 439.16310214
Names & identifiers
- Preferred name
- 4H-Dibenzo[de,g]quinoline-2,9-diol, 6-acetyl-5,6,6a,7-tetrahydro-1,10-dimethoxy-, diacetate (ester), (S)-
- IUPAC
- [(6aS)-6-acetyl-9-acetyloxy-1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-yl] acetate
Names & synonyms
DTXSID3011107444H-Dibenzo[de,g]quinoline-2,9-diol, 6-acetyl-5,6,6a,7-tetrahydro-1,10-dimethoxy-, diacetate (ester), (S)-5890-20-0
Database identifiers
- CAS
5890-20-0- PubChem CID
- 165367648
- DTXSID
DTXSID301110744
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 742
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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