N-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]formamide
Basic information
- CAS
24306-95-4- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](NC=O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
KZIUQJZMWULELD-UIALXTEESA-N- Molecular formula
- C28H49NO
- Average molar mass
- 415.7 g/mol
- Monoisotopic mass
- 415.38141519
Names & identifiers
- Preferred name
- N-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]formamide
- IUPAC
- N-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]formamide
Names & synonyms
24306-95-4NSC31872NSC-31872
Database identifiers
- CAS
24306-95-4- PubChem CID
- 233383
- Nikkaji
- J950.127D
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 601
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…