Cas no 75685-48-2 (Pyrrolo[1,2-a]quinoline-1-ethanol,dodecahydro-6-(2Z)-2-penten-4-yn-1-yl-, (1R,3aR,5aR,6R,9aS)-rel-)

Pyrrolo[1,2-a]quinoline-1-ethanol,dodecahydro-6-(2Z)-2-penten-4-yn-1-yl-, (1R,3aR,5aR,6R,9aS)-rel- structure
75685-48-2 structure
Product Name:Pyrrolo[1,2-a]quinoline-1-ethanol,dodecahydro-6-(2Z)-2-penten-4-yn-1-yl-, (1R,3aR,5aR,6R,9aS)-rel-
CAS No:75685-48-2
MF:C19H29NO
MW:287.439665555954
CID:581589
PubChem ID:6437870
Update Time:2025-04-19

Pyrrolo[1,2-a]quinoline-1-ethanol,dodecahydro-6-(2Z)-2-penten-4-yn-1-yl-, (1R,3aR,5aR,6R,9aS)-rel- Chemical and Physical Properties

Names and Identifiers

    • Pyrrolo[1,2-a]quinoline-1-ethanol,dodecahydro-6-(2Z)-2-penten-4-yn-1-yl-, (1R,3aR,5aR,6R,9aS)-rel-
    • DTXSID401029722
    • Histrionicotoxin D
    • Q5548689
    • (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
    • 55893-12-4
    • 01N796R81A
    • GEPHYROTOXIN, (-)-
    • Pyrrolo(1,2-a)quinoline-1-ethanol, dodecahydro-6-(2-penten-4-ynyl)-, (1alpha,3abeta,5aalpha,6alpha(Z),9aalpha)-
    • 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
    • HTX D
    • 75685-48-2
    • (1R,3AR,5AR,6R,9AS)-DODECAHYDRO-6-(2Z)-2-PENTEN-4-YNYLPYRROLO(1,2-A)QUINOLINE-1-ETHANOL
    • GEPHYROTOXIN [MI]
    • Pyrrolo(1,2-a)quinoline-1-ethanol, dodecahydro-6-(2-penten-4-ynyl)-, (1R-(1alpha,3abeta,5aalpha,6alpha(Z),9aalpha))-
    • Pyrrolo(1,2-a)quinoline-1-ethanol, dodecahydro-6-(2Z)-2-penten-4-ynyl-, (1R,3aR,5aR,6R,9aS)-
    • Gephyrotoxin
    • UNII-01N796R81A
    • (1S,3aS,5aS,6S(Z),9aR,10R)dodecahydro-6-(2- penten-4-yl)pyrrolo(1,2-a)quinoline-1-ethanol
    • Inchi： 1S/C19H29NO/c1-2-3-4-6-15-7-5-8-19-18(15)12-11-16-9-10-17(13-14-21)20(16)19/h1,3-4,15-19,21H,5-14H2/b4-3-/t15-,16-,17+,18+,19-/m0/s1
    • InChI Key： IQTIQAXNJBRKRG-IZDLKJCPSA-N
    • SMILES： OCC[C@H]1CC[C@H]2CC[C@@H]3[C@@H](C/C=C\C#C)CCC[C@@H]3N21

Computed Properties

  • Exact Mass: 287.224914549g/mol
  • Monoisotopic Mass: 287.224914549g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 421
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 23.5?2

Pyrrolo[1,2-a]quinoline-1-ethanol,dodecahydro-6-(2Z)-2-penten-4-yn-1-yl-, (1R,3aR,5aR,6R,9aS)-rel- Related Literature

Related Categories

75685-48-2 (Pyrrolo[1,2-a]quinoline-1-ethanol,dodecahydro-6-(2Z)-2-penten-4-yn-1-yl-, (1R,3aR,5aR,6R,9aS)-rel-) Related Products

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