Cas no 133084-52-3 (3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-(1-ethenyl-4-hydroxy-1,5-dimethyl-5-hexenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-(9CI))

3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-(1-ethenyl-4-hydroxy-1,5-dimethyl-5-hexenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-(9CI) structure
133084-52-3 structure
Product Name:3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-(1-ethenyl-4-hydroxy-1,5-dimethyl-5-hexenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-(9CI)
CAS No:133084-52-3
MF:C27H39N3O3
MW:453.616867303848
CID:174177
PubChem ID:131589
Update Time:2025-04-19

3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-(1-ethenyl-4-hydroxy-1,5-dimethyl-5-hexenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-(9CI) Chemical and Physical Properties

Names and Identifiers

    • 3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-(1-ethenyl-4-hydroxy-1,5-dimethyl-5-hexenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-(9CI)
    • 3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-(1-ethenyl-4-hydroxy-1,5-dimethyl-5-hexenyl)-1,...
    • 3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-(1-ethenyl-4-hydroxy-1,5-dimethyl-5-hexenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxym
    • Lyngbyatoxin B
    • 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 9-(1-ethenyl-4-hydroxy-1,5-dimethyl-5-hexenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-
    • 9-(6-hydroxy-3,7-dimethylocta-1,7-dien-3-yl)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one
    • 133084-52-3
    • DTXSID50927930
    • AKOS040752808
    • 5-(6-hydroxy-3,7-dimethylocta-1,7-dien-3-yl)-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one
    • Inchi： 1S/C27H39N3O3/c1-8-27(6,12-11-22(32)16(2)3)20-9-10-21-23-18(14-28-24(20)23)13-19(15-31)29-26(33)25(17(4)5)30(21)7/h8-10,14,17,19,22,25,28,31-32H,1-2,11-13,15H2,3-7H3,(H,29,33)
    • InChI Key： RLQWNZUFDRUTMZ-UHFFFAOYSA-N
    • SMILES： O=C1C(C(C)C)N(C)C2=CC=C(C3=C2C(=CN3)CC(CO)N1)C(C=C)(C)CCC(C(=C)C)O

Computed Properties

  • Exact Mass: 452.29154
  • Monoisotopic Mass: 453.29914211g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 8
  • Complexity: 725
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5
  • Topological Polar Surface Area: 88.6?2

Experimental Properties

  • PSA: 85.69

3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-(1-ethenyl-4-hydroxy-1,5-dimethyl-5-hexenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-(9CI) Related Literature

Related Categories

133084-52-3 (3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-(1-ethenyl-4-hydroxy-1,5-dimethyl-5-hexenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-(9CI)) Related Products

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