(1aS,1bS,6bS,7aS,8aS,9R,10S,11S,11aS)-9,10,11-Trihydroxy-10-Isopropyl-1B-Methyl-1B,3,6,6B,7,7A,9,10,11,11A-Decahydrobisoxireno[8A,9:4B,5]Phenanthro[1,2-c]Furan-4(2H)-One
[CAS# 147852-78-6]

Identification

• Name: (1aS,1bS,6bS,7aS,8aS,9R,10S,11S,11aS)-9,10,11-Trihydroxy-10-Isopropyl-1B-Methyl-1B,3,6,6B,7,7A,9,10,11,11A-Decahydrobisoxireno[8A,9:4B,5]Phenanthro[1,2-c]Furan-4(2H)-One
• Synonyms: EPI-TRIPTOLIDE
• Molecular Formula: C₂₀H₂₆O₇
• Molecular Weight: 378.42
• CAS Registry Number: 147852-78-6
• SMILES: CC(C)C1(C(C2C3(O2)C4(CCC5=C(C4CC6C3(C1O)O6)COC5=O)C)O)O
• InChI: 1S/C20H26O7/c1-8(2)18(24)13(21)14-20(27-14)17(3)5-4-9-10(7-25-15(9)22)11(17)6-12-19(20,26-12)16(18)23/h8,11-14,16,21,23-24H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1
• InChIKey: DYVDZVMUDBCZSA-CIVMWXNOSA-N

Properties

• Density: 1.511g/cm³ (Cal.)
• Boiling point: 628.145°C at 760 mmHg (Cal.)
• Flash point: 227.175°C (Cal.)
• Refractive index: 1.653 (Cal.)