Spirolucidine
Basic information
- CAS
89647-79-0- Standard SMILES
CC(=O)N1CCC[C@@H]2[C@@H](C[C@H]3CCC(=O)[C@@]4(C[C@@H]5C[C@@H](C)C[C@H]6[C@@H]5C[C@@H]4CN6C)N3)C[C@H](C)C[C@@H]21- InChIKey
DOAGKNAZGHOTJU-PALKDTOHSA-N- Molecular formula
- C30H49N3O2
- Average molar mass
- 483.7 g/mol
- Monoisotopic mass
- 483.38247781
Overview
Spirolucidine is a member of piperidines, an azaspiro compound and a decahydroquinoline alkaloid.
Names & identifiers
- Preferred name
- Spirolucidine
- IUPAC
- (1R,4S,6R,6'R,8S,9R,11S)-6'-[[(4aR,5R,7S,8aS)-1-acetyl-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl]methyl]-3,6-dimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]-3'-one
Names & synonyms
SpirolucidineCHEBI:9240DTXSID80331849(1R,4S,6R,6'R,8S,9R,11S)-6'-[[(4aR,5R,7S,8aS)-1-acetyl-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl]methyl]-3,6-dimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]-3'-one(1R,2S,4S,6R,6'R,8S,9R)-6'-{[(4aR,5R,7S,8aS)-1-acetyl-7-methyldecahydroquinolin-5-yl]methyl}-6,12-dimethyl-3'H-spiro[12-azatricyclo[6.2.2.0(4,9)]dodecane-2,2'-piperidin]-3'-one(1R,2S,4S,6R,6'R,8S,9R)-6'-(((4aR,5R,7S,8aS)-1-acetyl-7-methyldecahydroquinolin-5-yl)methyl)-6,12-dimethyl-3'H-spiro(12-azatricyclo(6.2.2.0(4,9))dodecane-2,2'-piperidin)-3'-one(1R,4S,6R,6'R,8S,9R,11S)-6'-(((4aR,5R,7S,8aS)-1-acetyl-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl)methyl)-3,6-dimethylspiro(3-azatricyclo(6.2.2.04,9)dodecane-11,2'-piperidine)-3'-oneRefChem:184891DTXCID8028294389647-79-0C09903Q27108331
Show more names
(1S,2'S,3R,4aS,6'R,7R,8aR)-6'-{[(4aR,5R,7S,8aS)-1-Acetyl-7-methyldecahydroquinolin-5-yl]methyl}-3,10-dimethyloctahydro-2H-spiro[1,7-(epiminomethano)naphthalene-6,2'-piperidin]-3'-one
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 845
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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