Daphnane
(3S,10R,13S,14R)-1-methyl-14-propan-2-yl-2-propyl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecane
Also Known As: Daphnane|(7xi)-3beta,15alpha-Daphnane|(3aR-(3aalpha,4alpha,4abeta,5beta,8alpha,8abeta,8balpha,10S*))-Decahydro-8-methyl-5-(1-methylethyl)-8a-propyl-4,8,3a-(1,2,4)butanetriylcyclopent(b)indole|(3S,10R,13S,14R)-1-Methyl-14-propan-2-yl-2-propyl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecane|4,8,3a-(1,2,4)Butanetriylcyclopent(b)indole, decahydro-8-methyl-5-(1-methylethyl)-8a-propyl-, (3aR,4aS,5R,8S,8aR,8bS,10S)-|4,8,3a-(1,2,4)Butanetriylcyclopent(b)indole, decahydro-8-methyl-5-(1-methylethyl)-8a-propyl-, (3aR-(3aalpha,4alpha,4abeta,5beta,8alpha,8abeta,8balpha,10S*))-
| Molecular Formula | C22H37N |
|---|---|
| Molecular Weight | 315.2926 g/mol |
| LogP | 5.4919 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.2926 |
| Monoisotopic Mass | 315.2926 |
| Heavy Atoms | 23 |
| Complexity | 512.1021 |
Chemical Identifiers
| CAS Number | 39686-16-3 |
|---|---|
| SMILES | CCCC12[C@@H]3CCCC34CC[C@@H]5C1(CC[C@@H]([C@@H]2N4C5)C(C)C)C |
Product Overview
Daphnane (CAS 39686-16-3), with molecular formula C22H37N and molecular weight 315.2926 g/mol. IUPAC: (3S,10R,13S,14R)-1-methyl-14-propan-2-yl-2-propyl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecane.