Holafebrine
(3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-aminoethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: Holafebrine|20-Aminopregn-5-en-3-ol #|(20S)-20-Aminopregn-5-en-3beta-ol|Pregn-5-en-3.beta.-ol, 20.alpha.-amino-|Pregn-5-en-3beta-ol, 20alpha-amino-|Pregn-5-en-3-ol, (3.beta.,20S)-|Pregn-5-en-3-ol, 20-amino-, (3.beta.,20S)-|Pregn-5-en-3-ol, 20-amino-, (3beta,20S)-|(3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-aminoethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol|(1S,3aS,3bS,7S,9aR,9bS,11aS)-1-[(1S)-1-aminoethyl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
| Molecular Formula | C21H35NO |
|---|---|
| Molecular Weight | 317.27185 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 317.27185 |
| Monoisotopic Mass | 317.27185 |
| Heavy Atoms | 23 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 5035-10-9 |
|---|---|
| SMILES | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)N |
| InChIKey | FLEBIYNUTZNISZ-YZXCLFAISA-N |
Product Overview
Holafebrine (CAS 5035-10-9), with molecular formula C21H35NO and molecular weight 317.27185 g/mol. IUPAC: (3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-aminoethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.
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