Agigenin
[CAS# 55332-76-8]

Identification

• Name: Agigenin
• Molecular Formula: C₂₇H₄₄O₅
• Molecular Weight: 448.64
• CAS Registry Number: 55332-76-8
• SMILES: [C@@H]1([C@@H](C[C@]4([C@H](C1)[C@@H](C[C@H]5[C@@H]3C[C@@H]2OC6([C@H]([C@@H]2[C@@]3(C)CC[C@H]45)C)OC[C@@H](CC6)C)O)C)O)O
• InChI: 1S/C27H44O5/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-21(29)22(30)12-26(19,4)17(16)6-7-25(18,24)3/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19-,20-,21-,22-,23+,24+,25+,26-,27?/m1/s1
• InChIKey: FYRLHXNMINIDCB-JNFIMKGBSA-N

Properties

• Density: 1.212g/cm³ (Cal.)
• Boiling point: 568.096°C at 760 mmHg (Cal.)
• Flash point: 297.374°C (Cal.)