(2R,3aS,4aS,5R,5aS,6R,9aR,10S,10aR)-2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-Decahydro-5,6-dihydroxy-1,6,9a,10a-tetramethyl-9-oxo-2H-Cyclopenta(b)naphtho(2,3-d)furan-10-carboxylic acid methyl ester
[CAS# 78916-53-7]

Identification

• Name: (2R,3aS,4aS,5R,5aS,6R,9aR,10S,10aR)-2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-Decahydro-5,6-dihydroxy-1,6,9a,10a-tetramethyl-9-oxo-2H-Cyclopenta(b)naphtho(2,3-d)furan-10-carboxylic acid methyl ester
• Molecular Formula: C₂₆H₃₂O₇
• Molecular Weight: 456.53
• CAS Registry Number: 78916-53-7
• SMILES: [C@@]14([C@H](O[C@@H]2C1=C([C@@H](C2)C3=COC=C3)C)[C@H](O)[C@@H]5[C@]([C@H]4CC(OC)=O)(C(=O)C=C[C@]5(O)C)C)C
• InChI: 1S/C26H32O7/c1-13-15(14-7-9-32-12-14)10-16-20(13)26(4)17(11-19(28)31-5)25(3)18(27)6-8-24(2,30)22(25)21(29)23(26)33-16/h6-9,12,15-17,21-23,29-30H,10-11H2,1-5H3/t15-,16+,17-,21-,22+,23-,24-,25-,26-/m1/s1
• InChIKey: PFQPGZDVNHHXLR-DRHPPGAKSA-N

Properties

• Density: 1.313g/cm³ (Cal.)
• Boiling point: 602.72°C at 760 mmHg (Cal.)
• Flash point: 318.314°C (Cal.)