Gephyrotoxin
2-[(1R,3aR,5aR,6R,9aS)-6-[(Z)-pent-2-en-4-ynyl]-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydropyrrolo[1,2-a]quinolin-1-yl]ethanol
Also Known As: Gephyrotoxin|Histrionicotoxin D|HTX D|Gephyrotoxin 287C|GEPHYROTOXIN [MI]|(+)-Gephyrotoxin 287C|GEPHYROTOXIN, (-)-|2-[(1R,3aR,5aR,6R,9aS)-6-[(Z)-pent-2-en-4-ynyl]-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydropyrrolo[1,2-a]quinolin-1-yl]ethanol|Pyrrolo(1,2-a)quinoline-1-ethanol, dodecahydro-6-(2Z)-2-penten-4-ynyl-, (1R,3aR,5aR,6R,9aS)-|(1R,3aR,5aR,6R,9aS)-Dodecahydro-6-(2Z)-2-penten-4-ynylpyrrolo[1,2-a]quinoline-1-ethanol|(1S,3aS,5aS,6S(Z),9aR,10R)Dodecahydro-6-(2-penten-4-yl)pyrrolo(1,2-a)quinoline-1-ethanol|(1R,3AR,5AR,6R,9AS)-DODECAHYDRO-6-(2Z)-2-PENTEN-4-YNYLPYRROLO(1,2-A)QUINOLINE-1-ETHANOL|Pyrrolo(1,2-a)quinoline-1-ethanol, dodecahydro-6-(2-penten-4-ynyl)-, (1alpha,3abeta,5aalpha,6alpha(Z),9aalpha)-|Pyrrolo(1,2-a)quinoline-1-ethanol, dodecahydro-6-(2-penten-4-ynyl)-, (1R-(1alpha,3abeta,5aalpha,6alpha(Z),9aalpha))-|(1R,3aalpha,5abeta,9abeta)-6beta-[(Z)-2-Pentene-4-ynyl]dodecahydropyrrolo[1,2-a]quinoline-1beta-ethanol|(1R,3aalpha,5abeta,9abeta)-Dodecahydro-6beta-[(Z)-2-penten-4-ynyl]pyrrolo[1,2-a]quinoline-1beta-ethanol|(1R,3aalpha,5abeta,9abeta)-Dodecahydro-6beta-[(Z)-2-pentene-4-yne-1-yl]pyrrolo[1,2-a]quinoline-1beta-ethanol|(1R,3aalpha,5abeta,9abeta)-Dodecahydro-6beta-[(Z)-2-pentene-4-ynyl]pyrrolo[1,2-a]quinoline-1beta-ethanol|(1S,3aS,5aS,6S(Z),9aR,10R)dodecahydro-6-(2- penten-4-yl)pyrrolo(1,2-a)quinoline-1-ethanol|2-((1R,3aR,5aR,6R,9aS)-6-((Z)-pent-2-en-4-ynyl)-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydropyrrolo(1,2-a)quinolin-1-yl)ethanol|2-[(1R,3AR,5AR,6R,9AS)-6-[(2Z)-PENT-2-EN-4-YN-1-YL]-DODECAHYDROPYRROLO[1,2-A]QUINOLIN-1-YL]ETHAN-1-OL|2-[(1R,3aR,5aR,6R,9aS)-6-[(E)-pent-2-en-4-ynyl]-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydropyrrolo[1,2-a]quinolin-1-yl]ethanol|Pyrrolo[1,2-a]quinoline-1-ethanol, dodecahydro-6-(2-penten-4-ynyl)-, [1R-[1.alpha.,3a.beta.,5a.alpha.,6.alpha.(Z),9a.alpha.]]-
| Molecular Formula | C19H29NO |
|---|---|
| Molecular Weight | 287.2249 g/mol |
| LogP | 3.36 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.2249 |
| Monoisotopic Mass | 287.2249 |
| Heavy Atoms | 21 |
| Complexity | 410.27963 |
Chemical Identifiers
| CAS Number | 75685-48-2 |
|---|---|
| SMILES | C#C/C=C\C[C@H]1CCC[C@H]2[C@@H]1CC[C@H]3N2[C@H](CC3)CCO |
Product Overview
Gephyrotoxin (CAS 75685-48-2), with molecular formula C19H29NO and molecular weight 287.2249 g/mol. IUPAC: 2-[(1R,3aR,5aR,6R,9aS)-6-[(Z)-pent-2-en-4-ynyl]-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydropyrrolo[1,2-a]quinolin-1-yl]ethanol.