(5As,5bs,7ar,10as,10bs,12ar)-5a,7a-dimethylhexadecahydro-2,5-epoxycyclopenta[5,6]naphtho[1,2-d]azepin-9(1h)-one
Basic information
- CAS
467-52-7- Standard SMILES
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC5NCC(O5)[C@@]43C)[C@@H]1CC(=O)C2- InChIKey
XWTQFFNBWQHSFL-DBQPAJLESA-N- Molecular formula
- C19H29NO2
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.21982917
Names & identifiers
- Preferred name
- (5As,5bs,7ar,10as,10bs,12ar)-5a,7a-dimethylhexadecahydro-2,5-epoxycyclopenta[5,6]naphtho[1,2-d]azepin-9(1h)-one
- IUPAC
- (2S,3S,6R,10S,11S,14R)-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-one
Names & synonyms
(5as,5bs,7ar,10as,10bs,12ar)-5a,7a-dimethylhexadecahydro-2,5-epoxycyclopenta[5,6]naphtho[1,2-d]azepin-9(1h)-oneSCHEMBL41984210DTXSID309636395a,7a-Dimethylhexadecahydro-2,5-epoxycyclopenta[5,6]naphtho[1,2-d]azepin-9(1H)-one
Database identifiers
- CAS
467-52-7- PubChem CID
- 120691
- DTXSID
DTXSID30963639
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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