Agelasidine C
[CAS# 96617-52-6]

Identification

• Name: Agelasidine C
• Synonyms: Guanidine, (2-((3,7-Dimethyl-9-(1,2,6-Trimethyl-2-Cyclohexen-1-Yl)-2,6-Nonadienyl)Sulfonyl)Ethyl)-, (1S-(1Alpha(2E,6E),6Beta))-; Agd-C; Agelasidine C
• Molecular Formula: C₂₃H₄₁N₃O₂S
• Molecular Weight: 423.66
• CAS Registry Number: 96617-52-6
• SMILES: [C@]1([C@@H](CCC=C1C)C)(CC\C(=C\CC\C(=C\C[S](=O)(=O)CCN=C(N)N)C)C)C
• InChI: 1S/C23H41N3O2S/c1-18(12-14-23(5)20(3)10-7-11-21(23)4)8-6-9-19(2)13-16-29(27,28)17-15-26-22(24)25/h8,10,13,21H,6-7,9,11-12,14-17H2,1-5H3,(H4,24,25,26)/b18-8+,19-13+/t21-,23-/m1/s1
• InChIKey: ZKAIIIOGWKNEAA-DEWOAGJPSA-N

Properties

• Density: 1.076g/cm³ (Cal.)
• Boiling point: 597.592°C at 760 mmHg (Cal.)
• Flash point: 315.212°C (Cal.)