Basic information
- CAS
21058-56-0- Standard SMILES
CC12CCNC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12- InChIKey
UJPILRQDXJVBHX-UHFFFAOYSA-N- Molecular formula
- C19H29NO2
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.21982917
Names & identifiers
- Preferred name
- 8-Hydroxy-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-tetradecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3H)-one
- IUPAC
- 1-hydroxy-10a,12a-dimethyl-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepin-7-one
Names & synonyms
8-Hydroxy-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-tetradecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3H)-oneCHEMBL38685721058-56-01-hydroxy-10a,12a-dimethyl-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepin-7-oneNSC627265NSC-627265DTXSID60300437BDBM50200091NSC137003NSC-1370038-hydroxy-7a-methyl-4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-tetradecahydro-3H-cyclopenta[5,6]naphtho[1,2-d]azepin-2-one
Database identifiers
- CAS
21058-56-0- PubChem CID
- 282902
- DTXSID
DTXSID60300437- ChEMBL
CHEMBL386857
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 528
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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