(Z)-2-Methyl-2-Butenoic Acid [(3S)-2,3,3aalpha,4,4a,5,7aalpha,8,9,9aalpha-Decahydro-9beta-Hydroxy-3beta,4abeta,8alpha-Trimethyl-2,5-Dioxoazuleno[6,5-b]Furan-4alpha-Yl] Ester
[CAS# 6995-10-4]

Identification

• Name: (Z)-2-Methyl-2-Butenoic Acid [(3S)-2,3,3aalpha,4,4a,5,7aalpha,8,9,9aalpha-Decahydro-9beta-Hydroxy-3beta,4abeta,8alpha-Trimethyl-2,5-Dioxoazuleno[6,5-b]Furan-4alpha-Yl] Ester
• Synonyms: (4-Hydroxy-1,5,8A-Trimethyl-2,8-Dioxo-3A,4,5,5A,9,9A-Hexahydro-1H-Azuleno[6,5-B]Furan-9-Yl) (E)-2-Methylbut-2-Enoate; (E)-2-Methylbut-2-Enoic Acid (4-Hydroxy-1,5,8A-Trimethyl-2,8-Dioxo-3A,4,5,5A,9,9A-Hexahydro-1H-Azuleno[6,5-B]Furan-9-Yl) Ester; 2-Methylbut-2-Enoic Acid (4-Hydroxy-1,5,8A-Trimethyl-2,8-Dioxo-3A,4,5,5A,9,9A-Hexahydro-1H-Azuleno[6,5-B]Furan-9-Yl) Ester
• Molecular Formula: C₂₀H₂₆O₆
• Molecular Weight: 362.42
• CAS Registry Number: 6995-10-4
• SMILES: CC23C(C1C(OC(C1C)=O)C(C(C2C=CC3=O)C)O)OC(C(=C/C)/C)=O
• InChI: 1S/C20H26O6/c1-6-9(2)18(23)26-17-14-11(4)19(24)25-16(14)15(22)10(3)12-7-8-13(21)20(12,17)5/h6-8,10-12,14-17,22H,1-5H3/b9-6+
• InChIKey: NOASRRBRAULRFQ-RMKNXTFCSA-N

Properties

• Density: 1.238g/cm³ (Cal.)
• Boiling point: 535.471°C at 760 mmHg (Cal.)
• Flash point: 187.252°C (Cal.)