(3S)-3abeta,4,5,6,6aalpha,7,9aalpha,9bbeta-Octahydro-6alpha-Hydroxy-3,6,9-Trimethyl-3beta,4beta-Bis[[(Z)-2-Methyl-1-Oxo-2-Butenyl]Oxy]Azuleno[4,5-b]Furan-2(3H)-One
[CAS# 68852-48-2]

Identification

• Name: (3S)-3abeta,4,5,6,6aalpha,7,9aalpha,9bbeta-Octahydro-6alpha-Hydroxy-3,6,9-Trimethyl-3beta,4beta-Bis[[(Z)-2-Methyl-1-Oxo-2-Butenyl]Oxy]Azuleno[4,5-b]Furan-2(3H)-One
• Synonyms: (Z)-2-Methylbut-2-Enoic Acid [(3S,3Ar,4S,6S,6As,9As,9Bs)-6-Hydroxy-3,6,9-Trimethyl-4-[(Z)-2-Methyl-1-Oxobut-2-Enoxy]-2-Oxo-4,5,6A,7,9A,9B-Hexahydro-3Ah-Azuleno[5,4-D]Furan-3-Yl] Ester; (Z)-2-Methylbut-2-Enoic Acid [(3S,3Ar,4S,6S,6As,9As,9Bs)-6-Hydroxy-2-Keto-3,6,9-Trimethyl-4-[(Z)-2-Methylbut-2-Enoyl]Oxy-4,5,6A,7,9A,9B-Hexahydro-3Ah-Azuleno[5,4-D]Furan-3-Yl] Ester; C09468
• Molecular Formula: C₂₅H₃₄O₇
• Molecular Weight: 446.54
• CAS Registry Number: 68852-48-2
• SMILES: [C@]3([C@H]2[C@H]([C@H]1[C@H](CC=C1C)[C@](C[C@@H]2OC(C(=C/C)\C)=O)(O)C)OC3=O)(OC(C(=C/C)\C)=O)C
• InChI: 1S/C25H34O7/c1-8-13(3)21(26)30-17-12-24(6,29)16-11-10-15(5)18(16)20-19(17)25(7,23(28)31-20)32-22(27)14(4)9-2/h8-10,16-20,29H,11-12H2,1-7H3/b13-8-,14-9-/t16-,17-,18+,19+,20-,24-,25-/m0/s1
• InChIKey: BCRODGCGQKENCQ-SHQNSFORSA-N

Properties

• Density: 1.202g/cm³ (Cal.)
• Boiling point: 568.074°C at 760 mmHg (Cal.)
• Flash point: 185.433°C (Cal.)