Spiro(7H-benzo(de)quinoline-7,1'-cyclopentane)-5,6-diol, 1,2,3,8,9,9a-hexahydro-1-methyl-, diacetate (ester)
Basic information
- CAS
63080-48-8- Standard SMILES
CC(=O)Oc1cc2c3c(c1OC(C)=O)C1(CCCC1)CCC3N(C)CC2- InChIKey
SPJIFLQNUDDSSP-UHFFFAOYSA-N- Molecular formula
- C21H27NO4
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.19400834
Names & identifiers
- Preferred name
- Spiro(7H-benzo(de)quinoline-7,1'-cyclopentane)-5,6-diol, 1,2,3,8,9,9a-hexahydro-1-methyl-, diacetate (ester)
- IUPAC
- (6-acetyloxy-1-methylspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,1'-cyclopentane]-5-yl) acetate
Names & synonyms
BRN 151083063080-48-8Spiro(7H-benzo(de)quinoline-7,1'-cyclopentane)-5,6-diol, 1,2,3,8,9,9a-hexahydro-1-methyl-, diacetate (ester)RefChem:380939DTXSID309790331-Methyl-1,2,3,8,9,9a-hexahydrospiro[benzo[de]quinoline-7,1'-cyclopentane]-5,6-diyl diacetate
Database identifiers
- CAS
63080-48-8- PubChem CID
- 3047239
- DTXSID
DTXSID30979033
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 570
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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