[(3aS,6S,6aS,9aS,9bR)-6-Methyl-3-Methylene-2,9-Dioxodecahydroazuleno[4,5-b]Furan-9A(4H)-Yl]Methyl Acetate
[CAS# 31299-06-6]

Identification

• Name: [(3aS,6S,6aS,9aS,9bR)-6-Methyl-3-Methylene-2,9-Dioxodecahydroazuleno[4,5-b]Furan-9A(4H)-Yl]Methyl Acetate
• Synonyms: Ligulatin B; C09494
• Molecular Formula: C₁₇H₂₂O₅
• Molecular Weight: 306.35
• CAS Registry Number: 31299-06-6
• SMILES: O=C3[C@@]2([C@H]([C@H](CC[C@H]1C(=C)\C(=O)O[C@H]12)C)CC3)COC(=O)C
• InChI: 1S/C17H22O5/c1-9-4-5-12-10(2)16(20)22-15(12)17(8-21-11(3)18)13(9)6-7-14(17)19/h9,12-13,15H,2,4-8H2,1,3H3/t9-,12-,13-,15+,17-/m0/s1
• InChIKey: BDTUWJXMQGOJIJ-AUPGVYSRSA-N

Properties

• Density: 1.208g/cm³ (Cal.)
• Boiling point: 463.209°C at 760 mmHg (Cal.)
• Flash point: 205.083°C (Cal.)