Cas no 55893-12-4 (Pyrrolo[1,2-a]quinoline-1-ethanol,dodecahydro-6-(2Z)-2-penten-4-ynyl-, (1R,3aR,5aR,6R,9aS)- (9CI))

Pyrrolo[1,2-a]quinoline-1-ethanol,dodecahydro-6-(2Z)-2-penten-4-ynyl-, (1R,3aR,5aR,6R,9aS)- (9CI) structure
55893-12-4 structure
Product Name:Pyrrolo[1,2-a]quinoline-1-ethanol,dodecahydro-6-(2Z)-2-penten-4-ynyl-, (1R,3aR,5aR,6R,9aS)- (9CI)
CAS No:55893-12-4
MF:C19H29NO
MW:287.439665555954
CID:374189
PubChem ID:6437870
Update Time:2025-04-19

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

Names and Identifiers

    • Pyrrolo[1,2-a]quinoline-1-ethanol,dodecahydro-6-(2Z)-2-penten-4-ynyl-, (1R,3aR,5aR,6R,9aS)- (9CI)
    • 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
    • gephyrotoxin
    • Q5548689
    • HTX D
    • UNII-01N796R81A
    • GEPHYROTOXIN, (-)-
    • Pyrrolo(1,2-a)quinoline-1-ethanol, dodecahydro-6-(2Z)-2-penten-4-ynyl-, (1R,3aR,5aR,6R,9aS)-
    • 75685-48-2
    • Histrionicotoxin D
    • 55893-12-4
    • 01N796R81A
    • (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)-, (1R-(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
    • DTXSID401029722
    • (1S,3aS,5aS,6S(Z),9aR,10R)Dodecahydro-6-(2-penten-4-yl)pyrrolo(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)-
    • GEPHYROTOXIN [MI]
    • (1R,3AR,5AR,6R,9AS)-DODECAHYDRO-6-(2Z)-2-PENTEN-4-YNYLPYRROLO(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

Experimental Properties

  • Melting Point: 231-232° (dec)
  • Specific Rotation: D25 -51.5° (c = 1 in ethanol)

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

Related Categories

55893-12-4 (Pyrrolo[1,2-a]quinoline-1-ethanol,dodecahydro-6-(2Z)-2-penten-4-ynyl-, (1R,3aR,5aR,6R,9aS)- (9CI)) Related Products

Recommended suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Yunnanjiuzhen
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Senfeida Chemical Co., Ltd
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.