Hodgkinsine structure

Hodgkinsine

3-methyl-5,8b-bis(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole

Also Known As: Hodgkinsine|hodgkinsine B|Pyrrolo[2,3-b]indole, hodgkinsine deriv.|J3.153.913G|3-methyl-5,8b-bis(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole|3a,3'a(1H,1'H):7',3''a(1''H)-Terpyrrolo[2,3-b]indole, 2,2',2'',3,3',3'',8,8',8'',8a,8'a,8''a-dodecahydro-1,1',1''-trimethyl-|3a,3a :7 ,3a -Ter(1-methyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole)|1-methyl-3a,7-bis({1-methyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-3a-yl})-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indole|Stereoisomer of 2,2',2'',3,3',3'',8,8',8'',8a,8'a,8''a-dodecahydro-1,1',1''-trimethyl-3a,3'a(1H,1'H):7',3''a(1''H)-terpyrrolo[2,3-b]indole

CAS: 586955-76-2
Molecular Formula C33H38N6
Molecular Weight 518.3158 g/mol
LogP 5.7
Topological Polar Surface Area 45.8 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
Rotatable Bonds 2
Exact Mass 518.3158
Monoisotopic Mass 518.3158
Heavy Atoms 39
Complexity 989.0

Chemical Identifiers

CAS Number 586955-76-2
SMILES CN1CCC2(C1NC3=CC=CC=C32)C4=C5C(=CC=C4)C6(CCN(C6N5)C)C78CCN(C7NC9=CC=CC=C89)C
InChIKey DPVWJPVYOXKFRQ-UHFFFAOYSA-N

Product Overview

Hodgkinsine (CAS 586955-76-2), with molecular formula C33H38N6 and molecular weight 518.3158 g/mol. IUPAC: 3-methyl-5,8b-bis(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole.

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