Basic information
- CAS
16373-60-7- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C4=CCCC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
SJGAHRFDJFTJAT-IPKSJWCJSA-N- Molecular formula
- C33H49NO
- Average molar mass
- 475.7 g/mol
- Monoisotopic mass
- 475.38141519
Names & identifiers
- Preferred name
- 6-Azacholest-4-en-7-one, 6-benzyl-
- IUPAC
- (1R,3aS,3bS,9aR,9bS,11aR)-5-benzyl-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,3b,7,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridin-4-one
Names & synonyms
16373-60-76-Azacholest-4-en-7-one, 6-benzyl-NSC67829NSC-67829
Database identifiers
- CAS
16373-60-7- PubChem CID
- 249472
Properties
Computed structural properties
- XLogP
- 9.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 793
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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