Cas no 69937-10-6 (1,1',1'',1'''-tetramethyl-2,3,8,8a,2',3',8',8'a,2'',3'',8'',8''a,2''',3''',8''',8'''a-hexadecahydro-1H,1'H,1''H,1'''H-[3a,3'a;7',3''a;7'',3'''a]quater(pyrrolo[2,3-b]indole))

1,1',1'',1'''-tetramethyl-2,3,8,8a,2',3',8',8'a,2'',3'',8'',8''a,2''',3''',8''',8'''a-hexadecahydro-1H,1'H,1''H,1'''H-[3a,3'a;7',3''a;7'',3'''a]quater(pyrrolo[2,3-b]indole) structure
69937-10-6 structure
Product Name:1,1',1'',1'''-tetramethyl-2,3,8,8a,2',3',8',8'a,2'',3'',8'',8''a,2''',3''',8''',8'''a-hexadecahydro-1H,1'H,1''H,1'''H-[3a,3'a;7',3''a;7'',3'''a]quater(pyrrolo[2,3-b]indole)
CAS No:69937-10-6
MF:C44H50N8
MW:690.921409130096
CID:2006901
PubChem ID:635745
Update Time:2025-04-21

1,1',1'',1'''-tetramethyl-2,3,8,8a,2',3',8',8'a,2'',3'',8'',8''a,2''',3''',8''',8'''a-hexadecahydro-1H,1'H,1''H,1'''H-[3a,3'a;7',3''a;7'',3'''a]quater(pyrrolo[2,3-b]indole) Chemical and Physical Properties

Names and Identifiers

    • 7',3''a
    • 7'',3'''a]quater(pyrrolo[2,3-b]indole)
    • Quadrigemin B
    • Quadrigemine B
    • quadrigemine H
    • Stereoisomer of 2,2',2'',2''',3,3',3'',3''',8,8',8'',8''',8a,8'a,8''a,8'''a-hexadecah ydro-1,1',1'',1'''-tetramethyl-3a,3'a(1H,1'H):7',3''a(1''H):7'',3'''a (1'''H)-quaterpyrrolo[2,3-b]indole
    • AVQUGAAZHJLAOQ-UHFFFAOYSA-N
    • 69937-10-6
    • 1~1~,2~1~,3~1~,4~1~-Tetramethyl-1~2~,1~3~,1~8~,1~8a~,2~2~,2~3~,2~8~,2~8a~,3~2~,3~3~,3~8~,3~8a~,4~2~,4~3~,4~8~,4~8a~-hexadecahydro-1~1~H,2~1~H,3~1~H,4~1~H-1~3a~,2~3a~:2~7~,3~3a~:3~7~,4~3a~-quaterpyrrolo[2,3-b]indole
    • 3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-8b-[3-methyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-5-yl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
    • Pyrrolo[2,3-b]indole, quadrigemine B deriv.
    • DTXSID70990202
    • Pyrrolo(2,3-b)indole, quadrigemine B deriv.
    • 3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo(2,3-b)indol-8b-yl)-8b-(3-methyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo(2,3-b)indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo(2,3-b)indol-5-yl)-1,2,3a,4-tetrahydropyrrolo(2,3-b)indole
    • Stereoisomer of 2,2',2'',2''',3,3',3'',3''',8,8',8'',8''',8a,8'a,8''a,8'''a-hexadecah ydro-1,1',1'',1'''-tetramethyl-3a,3'a(1H,1'H):7',3''a(1''H):7'',3'''a (1'''H)-quaterpyrrolo(2,3-b)indole
    • 1,1',1'',1'''-tetramethyl-2,3,8,8a,2',3',8',8'a,2'',3'',8'',8''a,2''',3''',8''',8'''a-hexadecahydro-1H,1'H,1''H,1'''H-[3a,3'a;7',3''a;7'',3'''a]quater(pyrrolo[2,3-b]indole)
    • Inchi: 1S/C44H50N8/c1-49-23-19-41(27-11-5-7-17-33(27)45-37(41)49)29-13-9-14-30-35(29)47-38-42(30,20-24-50(38)2)31-15-10-16-32-36(31)48-40-44(32,22-26-52(40)4)43-21-25-51(3)39(43)46-34-18-8-6-12-28(34)43/h5-18,37-40,45-48H,19-26H2,1-4H3
    • InChI Key: AVQUGAAZHJLAOQ-UHFFFAOYSA-N
    • SMILES: N1(C)CCC2(C3C=CC=C(C45C6C=CC=C(C78C9C=CC=CC=9NC7N(C)CC8)C=6NC4N(C)CC5)C=3NC12)C12C3C=CC=CC=3NC1N(C)CC2

Computed Properties

  • Exact Mass: 690.41584363g/mol
  • Monoisotopic Mass: 690.41584363g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 52
  • Rotatable Bond Count: 3
  • Complexity: 1430
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 8
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 7.5
  • Topological Polar Surface Area: 61.1?2

1,1',1'',1'''-tetramethyl-2,3,8,8a,2',3',8',8'a,2'',3'',8'',8''a,2''',3''',8''',8'''a-hexadecahydro-1H,1'H,1''H,1'''H-[3a,3'a;7',3''a;7'',3'''a]quater(pyrrolo[2,3-b]indole) Related Literature

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