(4aS,12bR)-8,10-Dihydroxy-2-(Hydroxymethyl)-5,5-Dimethyl-3,4,4a,12b-Tetrahydronaphtho[3,2-c]Isochromene-7,12-Dione
[CAS# 137109-44-5]

Identification

• Name: (4aS,12bR)-8,10-Dihydroxy-2-(Hydroxymethyl)-5,5-Dimethyl-3,4,4a,12b-Tetrahydronaphtho[3,2-c]Isochromene-7,12-Dione
• Synonyms: (4As,12Br)-8,10-Dihydroxy-5,5-Dimethyl-2-Methylol-3,4,4A,12B-Tetrahydronaphtho[3,2-C]Isochromene-7,12-Quinone; 4H-Benzo(D)Naphtho(2,3-B)Pyran-7,12-Dione, 3,4A,5,12B-Tetrahydro-8,10-Dihydroxy-2-(Hydroxymethyl)-5,5-Dimethyl-, (4As-Cis)-; Naphthgeranine B
• Molecular Formula: C₂₀H₂₀O₆
• Molecular Weight: 356.37
• CAS Registry Number: 137109-44-5
• SMILES: [C@@H]14[C@@H](C(OC2=C1C(=O)C3=C(C2=O)C(=CC(=C3)O)O)(C)C)CCC(=C4)CO
• InChI: 1S/C20H20O6/c1-20(2)13-4-3-9(8-21)5-11(13)16-17(24)12-6-10(22)7-14(23)15(12)18(25)19(16)26-20/h5-7,11,13,21-23H,3-4,8H2,1-2H3/t11-,13+/m1/s1
• InChIKey: PTWDQKQKJHACJW-YPMHNXCESA-N

Properties

• Density: 1.476g/cm³ (Cal.)
• Boiling point: 603.585°C at 760 mmHg (Cal.)
• Flash point: 218.897°C (Cal.)