(1As,2s,3r,9cs)-1a,2,3,9c-tetrahydro[1]benzoxireno[2,3-f]quinoline-2,3-diyl diacetate
Basic information
- CAS
103620-29-7- Standard SMILES
CC(=O)O[C@@H]1[C@H]2O[C@H]2c2c(ccc3ncccc23)[C@H]1OC(C)=O- InChIKey
ZMGDYATVDVLVFT-QZWWFDLISA-N- Molecular formula
- C17H15NO5
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.09502258
Names & identifiers
- Preferred name
- (1As,2s,3r,9cs)-1a,2,3,9c-tetrahydro[1]benzoxireno[2,3-f]quinoline-2,3-diyl diacetate
- IUPAC
- [(11R,12S,13S,15S)-11-acetyloxy-14-oxa-6-azatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2(7),3,5,8-pentaen-12-yl] acetate
Names & synonyms
103620-29-7(1as,2s,3r,9cs)-1a,2,3,9c-tetrahydro[1]benzoxireno[2,3-f]quinoline-2,3-diyl diacetateOxireno(5,6)benzo(1,2-f)quinoline-2,3-diol, 1a,2,3,9c-tetrahydro-, diacetate (ester), (1aalpha,2alpha,3beta,9calpha)-DTXSID409085161a,2,3,9c-Tetrahydro[1]benzoxireno[2,3-f]quinoline-2,3-diyl diacetate
Database identifiers
- CAS
103620-29-7- PubChem CID
- 190571
- DTXSID
DTXSID40908516
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 78 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 509
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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