(3S,4aS,12bR)-3,8,10-Trihydroxy-2-(Hydroxymethyl)-5,5-Dimethyl-3,4,4a,12b-Tetrahydronaphtho[3,2-c]Isochromene-7,12-Dione
[CAS# 137109-45-6]

Identification

• Name: (3S,4aS,12bR)-3,8,10-Trihydroxy-2-(Hydroxymethyl)-5,5-Dimethyl-3,4,4a,12b-Tetrahydronaphtho[3,2-c]Isochromene-7,12-Dione
• Synonyms: (3S,4As,12Br)-3,8,10-Trihydroxy-5,5-Dimethyl-2-Methylol-3,4,4A,12B-Tetrahydronaphtho[3,2-C]Isochromene-7,12-Quinone; Naphthgeranine C; 4H-Benzo(D)Naphtho(2,3-B)Pyran-7,12-Dione, 3,4A,5,12B-Tetrahydro-3,8,10-Trihydroxy-2-(Hydroxymethyl)-5,5-Dimethyl-, (3S-(3Alpha,4Aalpha,12Balpha))-
• Molecular Formula: C₂₀H₂₀O₇
• Molecular Weight: 372.37
• CAS Registry Number: 137109-45-6
• SMILES: [C@@H]14[C@@H](C(OC2=C1C(=O)C3=C(C2=O)C(=CC(=C3)O)O)(C)C)C[C@H](O)C(=C4)CO
• InChI: 1S/C20H20O7/c1-20(2)12-6-13(23)8(7-21)3-10(12)16-17(25)11-4-9(22)5-14(24)15(11)18(26)19(16)27-20/h3-5,10,12-13,21-24H,6-7H2,1-2H3/t10-,12+,13+/m1/s1
• InChIKey: SAUXNHFIRMCZCG-WXHSDQCUSA-N

Properties

• Density: 1.555g/cm³ (Cal.)
• Boiling point: 656.27°C at 760 mmHg (Cal.)
• Flash point: 237.923°C (Cal.)