Nortrilobolide
[CAS# 136051-63-3]

Identification

• Name: Nortrilobolide
• Synonyms: [(3S,3Ar,6R,6As,8R,9Bs)-6-Acetoxy-4-Butanoyloxy-3,3A-Dihydroxy-3,6,9-Trimethyl-2-Oxo-4,5,6A,7,8,9B-Hexahydroazuleno[4,5-B]Furan-8-Yl] (Z)-2-Methylbut-2-Enoate; (Z)-2-Methylbut-2-Enoic Acid [(3S,3Ar,6R,6As,8R,9Bs)-6-Acetoxy-3,3A-Dihydroxy-3,6,9-Trimethyl-2-Oxo-4-(1-Oxobutoxy)-4,5,6A,7,8,9B-Hexahydroazuleno[4,5-B]Furan-8-Yl] Ester; (Z)-2-Methylbut-2-Enoic Acid [(3S,3Ar,6R,6As,8R,9Bs)-6-Acetoxy-4-Butyryloxy-3,3A-Dihydroxy-2-Keto-3,6,9-Trimethyl-4,5,6A,7,8,9B-Hexahydroazuleno[4,5-B]Furan-8-Yl] Ester
• Molecular Formula: C₂₆H₃₆O₁₀
• Molecular Weight: 508.56
• CAS Registry Number: 136051-63-3
• SMILES: [C@@H]12OC(=O)[C@@](O)([C@@]1(O)C(OC(=O)CCC)C[C@@](OC(=O)C)([C@@H]3C2=C([C@H](OC(=O)C(=C\C)/C)C3)C)C)C
• InChI: 1S/C26H36O10/c1-8-10-19(28)34-18-12-24(6,36-15(5)27)16-11-17(33-22(29)13(3)9-2)14(4)20(16)21-26(18,32)25(7,31)23(30)35-21/h9,16-18,21,31-32H,8,10-12H2,1-7H3/b13-9-/t16-,17+,18?,21-,24+,25+,26+/m0/s1
• InChIKey: WEJWYRUDUWBNIB-YFOIAMABSA-N

Properties

• Density: 1.29g/cm³ (Cal.)
• Boiling point: 596.545°C at 760 mmHg (Cal.)
• Flash point: 190.636°C (Cal.)