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))
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
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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