Basic information
- CAS
30122-76-0- Standard SMILES
CC(=O)C1(O)C(Cl)CC2C3CCC4=CC(=O)NCCC4(C)C3CCC21C- InChIKey
VFSUUZSWABAXDK-UHFFFAOYSA-N- Molecular formula
- C21H30ClNO3
- Average molar mass
- 379.9 g/mol
- Monoisotopic mass
- 379.1914215
Names & identifiers
- Preferred name
- 8-Acetyl-9-chloro-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-acetyl-2-chloro-1-hydroxy-10a,12a-dimethyl-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydroindeno[4,5-i][3]benzazepin-7-one
Names & synonyms
30122-76-08-acetyl-9-chloro-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)-oneNSC137015DTXSID70300443NSC-137015
Database identifiers
- CAS
30122-76-0- PubChem CID
- 282913
- DTXSID
DTXSID70300443
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 691
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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