(4aR)-2,3,4,4alpha-Tetrahydro-5,6,8,10-Tetrahydroxy-1,1,4alpha-Trimethyl-7-Isopropylphenanthren-9(1H)-One
[CAS# 65714-69-4]

Identification

• Name: (4aR)-2,3,4,4alpha-Tetrahydro-5,6,8,10-Tetrahydroxy-1,1,4alpha-Trimethyl-7-Isopropylphenanthren-9(1H)-One
• Synonyms: (4Ar)-5,6,8,10-Tetrahydroxy-7-Isopropyl-1,1,4A-Trimethyl-3,4-Dihydro-2H-Phenanthren-9-One; Nci60_002961; Coleon U-Eru 702
• Molecular Formula: C₂₀H₂₆O₅
• Molecular Weight: 346.42
• CAS Registry Number: 65714-69-4
• SMILES: [C@]12(C3=C(C(C(=C1C(CCC2)(C)C)O)=O)C(=C(C(=C3O)O)C(C)C)O)C
• InChI: 1S/C20H26O5/c1-9(2)10-13(21)11-12(16(24)14(10)22)20(5)8-6-7-19(3,4)18(20)17(25)15(11)23/h9,21-22,24-25H,6-8H2,1-5H3/t20-/m1/s1
• InChIKey: XPYRMWZAUHBOPE-HXUWFJFHSA-N

Properties

• Density: 1.33g/cm³ (Cal.)
• Boiling point: 569.147°C at 760 mmHg (Cal.)
• Flash point: 312.058°C (Cal.)