5a,7a-Dimethyl-8-(6-methylheptan-2-yl)-2,4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11-tetradecahydrocyclopenta[5,6]naphtho[2,1-c]azepine-3,12-dione
Basic information
- CAS
14772-26-0- Standard SMILES
CC(C)CCCC(C)C1CCC2C3CC(=O)C4=CNC(=O)CCC4(C)C3CCC12C- InChIKey
RZPNNVFFMIMDDS-UHFFFAOYSA-N- Molecular formula
- C27H43NO2
- Average molar mass
- 413.6 g/mol
- Monoisotopic mass
- 413.32937961
Names & identifiers
- Preferred name
- 5a,7a-Dimethyl-8-(6-methylheptan-2-yl)-2,4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11-tetradecahydrocyclopenta[5,6]naphtho[2,1-c]azepine-3,12-dione
- IUPAC
- 10a,12a-dimethyl-1-(6-methylheptan-2-yl)-1,2,3,3a,3b,4,7,9,10,10b,11,12-dodecahydroindeno[5,4-g][2]benzazepine-5,8-dione
Names & synonyms
14772-26-05a,7a-dimethyl-8-(6-methylheptan-2-yl)-2,4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11-tetradecahydrocyclopenta[5,6]naphtho[2,1-c]azepine-3,12-dioneNSC136990DTXSID40300430NSC-136990
Database identifiers
- CAS
14772-26-0- PubChem CID
- 282889
- DTXSID
DTXSID40300430
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 724
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Compound notes
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