Agelasimine B
[CAS# 114216-87-4]

Identification

• Name: Agelasimine B
• Synonyms: (1S,2R,4As,8Ar)-1-[(E)-5-(6-Imino-1,3-Dimethyl-2H-Purin-7-Yl)-3-Methyl-Pent-3-Enyl]-1,2,5,5-Tetramethyl-Decalin-4A-Ol; (1S,2R,4As,8Ar)-1-[(E)-5-(6-Imino-1,3-Dimethyl-2H-Purin-7-Yl)-3-Methylpent-3-Enyl]-1,2,5,5-Tetramethyl-4A-Decalinol; (4As,7R,8S,8Ar)-8-[(E)-5-(6-Imino-1,3-Dimethyl-2H-Purin-7-Yl)-3-Methyl-Pent-3-Enyl]-4,4,7,8-Tetramethyl-2,3,5,6,7,8A-Hexahydro-1H-Naphthalen-4A-Ol
• Molecular Formula: C₂₇H₄₅N₅O
• Molecular Weight: 455.69
• CAS Registry Number: 114216-87-4
• SMILES: [C@@H]12[C@](O)(C(CCC1)(C)C)CC[C@H]([C@@]2(CC\C(=C\C[N]4C3=C(N(CN(C3=N)C)C)N=C4)C)C)C
• InChI: 1S/C27H45N5O/c1-19(12-16-32-17-29-24-22(32)23(28)30(6)18-31(24)7)10-14-26(5)20(2)11-15-27(33)21(26)9-8-13-25(27,3)4/h12,17,20-21,28,33H,8-11,13-16,18H2,1-7H3/b19-12+,28-23?/t20-,21-,26+,27+/m1/s1
• InChIKey: UMYDEMPHXCZYBB-SCWOSNGDSA-N