(3S,8S,9S,10R,13R,14S,17R)-N,N,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine
Basic information
- CAS
14546-23-7- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
WHZUCKVXGABTPN-AXYOXNHISA-N- Molecular formula
- C29H51N
- Average molar mass
- 413.7 g/mol
- Monoisotopic mass
- 413.40215063
Names & identifiers
- Preferred name
- (3S,8S,9S,10R,13R,14S,17R)-N,N,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine
- IUPAC
- (3S,8S,9S,10R,13R,14S,17R)-N,N,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine
Names & synonyms
NSC17091SCHEMBL21927835NSC-1709114546-23-7
Database identifiers
- CAS
14546-23-7- PubChem CID
- 226534
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 632
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…