(3R,4R,4aR)-3,4,8,10-Tetrahydroxy-2-(Hydroxymethyl)-5,5-Dimethyl-3,4,4a,12b-Tetrahydronaphtho[3,2-c]Isochromene-7,12-Dione
[CAS# 137109-46-7]

Identification

• Name: (3R,4R,4aR)-3,4,8,10-Tetrahydroxy-2-(Hydroxymethyl)-5,5-Dimethyl-3,4,4a,12b-Tetrahydronaphtho[3,2-c]Isochromene-7,12-Dione
• Synonyms: (3R,4R,4Ar)-3,4,8,10-Tetrahydroxy-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, 3,4B,5,12B-Tetrahydro-3,4,8,10-Tetrahydroxy-2-(Hydroxymethyl)-5,5-Dimethyl-, (3R-(3Alpha,4Beta,4Aalpha,12Balpha))-; Naphthgeranine D
• Molecular Formula: C₂₀H₂₀O₈
• Molecular Weight: 388.37
• CAS Registry Number: 137109-46-7
• SMILES: [C@H]14C(C2=C(OC1(C)C)C(=O)C3=C(C2=O)C=C(O)C=C3O)C=C([C@@H](O)[C@@H]4O)CO
• InChI: 1S/C20H20O8/c1-20(2)14-9(3-7(6-21)15(24)18(14)27)13-16(25)10-4-8(22)5-11(23)12(10)17(26)19(13)28-20/h3-5,9,14-15,18,21-24,27H,6H2,1-2H3/t9?,14-,15-,18-/m1/s1
• InChIKey: VXMGWBBELIEFKJ-OQNGNDRUSA-N

Properties

• Density: 1.636g/cm³ (Cal.)
• Boiling point: 680.596°C at 760 mmHg (Cal.)
• Flash point: 245.806°C (Cal.)