3-Methyl-2-Butenoic Acid (3S,3aalpha,7aalpha,9aalpha)-Dodecahydro-7alpha-Hydroxy-3beta,4abeta,8alpha-Trimethyl-2,5-Dioxoazuleno[6,5-b]Furan-4alpha-Yl Ester
[CAS# 6805-36-3]

Identification

• Name: 3-Methyl-2-Butenoic Acid (3S,3aalpha,7aalpha,9aalpha)-Dodecahydro-7alpha-Hydroxy-3beta,4abeta,8alpha-Trimethyl-2,5-Dioxoazuleno[6,5-b]Furan-4alpha-Yl Ester
• Synonyms: 3-Methylbut-2-Enoic Acid (6-Hydroxy-1,5,8A-Trimethyl-2,8-Dioxo-3A,4,5,5A,6,7,9,9A-Octahydro-1H-Azuleno[6,5-B]Furan-9-Yl) Ester; 3-Methylbut-2-Enoic Acid (6-Hydroxy-2,8-Diketo-1,5,8A-Trimethyl-3A,4,5,5A,6,7,9,9A-Octahydro-1H-Azuleno[5,6-D]Furan-9-Yl) Ester; Flexuosin B
• Molecular Formula: C₂₀H₂₈O₆
• Molecular Weight: 364.44
• CAS Registry Number: 6805-36-3
• SMILES: CC23C(C(CC1OC(=O)C(C1C2OC(=O)C=C(C)C)C)C)C(O)CC3=O
• InChI: 1S/C20H28O6/c1-9(2)6-15(23)26-18-16-11(4)19(24)25-13(16)7-10(3)17-12(21)8-14(22)20(17,18)5/h6,10-13,16-18,21H,7-8H2,1-5H3
• InChIKey: NVWSHXGIQXQTBM-UHFFFAOYSA-N

Properties

• Density: 1.217g/cm³ (Cal.)
• Boiling point: 526.579°C at 760 mmHg (Cal.)
• Flash point: 182.662°C (Cal.)