(6'R,8R,9'S)-6'-Hydroxy-4,4,6',10',10',13'-hexamethyl-3'-oxidospiro[10H-[1,4]dioxepino[2,3-g]indole-8,11'-13-aza-3-azoniatetracyclo[5.5.2.01,9.03,7]tetradecane]-9,14'-dione
Basic information
- CAS
141137-59-9- Standard SMILES
CN1C(=O)C23C[C@@H]4C1(C[C@@]1(C(=O)Nc5c1ccc1c5OC=CC(C)(C)O1)C4(C)C)C[N+]2([O-])CC[C@@]3(C)O- InChIKey
IFVZXHLMGGKUOX-HDSFRLTNSA-N- Molecular formula
- C28H35N3O6
- Average molar mass
- 509.6 g/mol
- Monoisotopic mass
- 509.25258584
Names & identifiers
- Preferred name
- (6'R,8R,9'S)-6'-Hydroxy-4,4,6',10',10',13'-hexamethyl-3'-oxidospiro[10H-[1,4]dioxepino[2,3-g]indole-8,11'-13-aza-3-azoniatetracyclo[5.5.2.01,9.03,7]tetradecane]-9,14'-dione
- IUPAC
- (6'R,8R,9'S)-6'-hydroxy-4,4,6',10',10',13'-hexamethyl-3'-oxidospiro[10H-[1,4]dioxepino[2,3-g]indole-8,11'-13-aza-3-azoniatetracyclo[5.5.2.01,9.03,7]tetradecane]-9,14'-dione
Names & synonyms
DTXSID80931000(6'R,8R,9'S)-6'-Hydroxy-4,4,6',10',10',13'-hexamethyl-3'-oxidospiro[10H-[1,4]dioxepino[2,3-g]indole-8,11'-13-aza-3-azoniatetracyclo[5.5.2.01,9.03,7]tetradecane]-9,14'-dione(1'R,7'R,8'aS)-1',9-Dihydroxy-1',4,4,8',8',11'-hexamethyl-4'-oxo-2',3',4',5',8'a,9'-hexahydro-1'H,4H,6'H,8'H-4'lambda~5~-spiro[[1,4]dioxepino[2,3-g]indole-8,7'-[5a,9a](epiminomethano)[4lambda~5~]cyclopenta[f]indolizin]-10'-one1',9-Dihydroxy-1',4,4,8',8',11'-hexamethyl-4'-oxo-2',3',4',5',8'a,9'-hexahydro-1'H,4H,6'H,8'H-spiro[1,4-dioxepino[2,3-g]indole-8,7'-[5a,9a](epiminomethano)[4lambda~5~]cyclopenta[f]indolizin]-10'-one
Database identifiers
- CAS
141137-59-9- PubChem CID
- 192305
- DTXSID
DTXSID80931000
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,140
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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