(1R,2R)-2-[(1aS,8aS)-4beta-(3-Furyl)-Octahydro-4abeta-Methyl-8-Methylene-2-Oxooxireno[d][2]Benzopyran-7alpha-Yl]-2,6,6-Trimethyl-5-Oxo-3-Cyclohexene-1-Acetic Acid Methyl Ester
[CAS# 6488-63-7]

Identification

• Name: (1R,2R)-2-[(1aS,8aS)-4beta-(3-Furyl)-Octahydro-4abeta-Methyl-8-Methylene-2-Oxooxireno[d][2]Benzopyran-7alpha-Yl]-2,6,6-Trimethyl-5-Oxo-3-Cyclohexene-1-Acetic Acid Methyl Ester
• Synonyms: Andirolin; Nsc104301; Nci60_000105
• Molecular Formula: C₂₇H₃₂O₇
• Molecular Weight: 468.55
• CAS Registry Number: 6488-63-7
• SMILES: C1(=COC=C1)C3OC(=O)[C@H]2O[C@@]24[C@]3(CC[C@@H](C4=C)[C@]5(C=CC(=O)C([C@@H]5CC(OC)=O)(C)C)C)C
• InChI: 1S/C27H32O7/c1-15-17(25(4)10-8-19(28)24(2,3)18(25)13-20(29)31-6)7-11-26(5)21(16-9-12-32-14-16)33-23(30)22-27(15,26)34-22/h8-10,12,14,17-18,21-22H,1,7,11,13H2,2-6H3/t17-,18-,21?,22+,25+,26-,27+/m0/s1
• InChIKey: BFUCTROUWLSVBH-UBGAJCGWSA-N

Properties

• Density: 1.255g/cm³ (Cal.)
• Boiling point: 591.196°C at 760 mmHg (Cal.)
• Flash point: 311.345°C (Cal.)