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Agelasine B
[CAS# 92664-76-1]

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CAS#: 92664-76-1
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Identification
Name Agelasine B
Synonyms 7-[(E)-5-[(1S,2R,4Ar,8Ar)-1,2,4A,5-Tetramethyl-2,3,4,7,8,8A-Hexahydronaphthalen-1-Yl]-3-Methyl-Pent-2-Enyl]-9-Methyl-Purin-9-Ium-6-Amine; 7-[(E)-5-[(1S,2R,4Ar,8Ar)-1,2,4A,5-Tetramethyl-2,3,4,7,8,8A-Hexahydronaphthalen-1-Yl]-3-Methylpent-2-Enyl]-9-Methyl-6-
Molecular Structure CAS#: 92664-76-1, Agelasine B
Molecular Formula C26H40N5
Molecular Weight 422.64
CAS Registry Number 92664-76-1
SMILES [C@@]34([C@@H]([C@@](CC\C(=C\C[N+]1=C[N](C2=C1C(=NC=N2)N)C)C)([C@@H](CC3)C)C)CCC=C4C)C
InChI 1S/C26H40N5/c1-18(12-15-31-17-30(6)24-22(31)23(27)28-16-29-24)10-13-25(4)20(3)11-14-26(5)19(2)8-7-9-21(25)26/h8,12,16-17,20-21H,7,9-11,13-15H2,1-6H3,(H2,27,28,29)/q+1/b18-12+/t20-,21-,25+,26+/m1/s1
InChIKey YCSGSEAQYPDNAQ-FGOPRVDBSA-N
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