6-Amino-9-methyl-7-[(2E)-3-methyl-5-(5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl)-2-penten-1-yl]-7H-purin-9-ium chloride
[CAS# 92664-80-7]

Identification

• Name: 6-Amino-9-methyl-7-[(2E)-3-methyl-5-(5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl)-2-penten-1-yl]-7H-purin-9-ium chloride
• Synonyms: 6-Amino-9-methyl-7-[(2E)-3-methyl-5-(5,5,8a-trimethyl-2-methylendecahydro-1-naphthalinyl)-2-penten-1-yl]-7H-purin-9-iumchlorid; 6-Amino-9-methyl-7-[(2E)-3-methyl-5-(5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl)-2-penten-1-yl]-7H-purin-9-ium chloride; 7H-Purinium, 6-amino-7-[(2E)-5-(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-3-methyl-2-penten-1-yl]-9-methyl-, chloride (1:1)
• Molecular Formula: C₂₆H₄₀ClN₅
• Molecular Weight: 458.08
• CAS Registry Number: 92664-80-7
• SMILES: C/C(=C\Cn1c[n+](c2c1c(ncn2)N)C)/CCC3C(=C)CCC4C3(CCCC4(C)C)C.[Cl-]
• InChI: 1S/C26H40N5.ClH/c1-18(12-15-31-17-30(6)24-22(31)23(27)28-16-29-24)8-10-20-19(2)9-11-21-25(3,4)13-7-14-26(20,21)5;/h12,16-17,20-21H,2,7-11,13-15H2,1,3-6H3,(H2,27,28,29);1H/q+1;/p-1/b18-12+
• InChIKey: VKMLEXNPDUMVEC-XMMWENQYSA-M