(4aS,12bR)-8,10-Dihydroxy-2,5,5,9-Tetramethyl-3,4,4a,12b-Tetrahydronaphtho[3,2-c]Isochromene-7,12-Dione
[CAS# 128505-88-4]

Identification

• Name: (4aS,12bR)-8,10-Dihydroxy-2,5,5,9-Tetramethyl-3,4,4a,12b-Tetrahydronaphtho[3,2-c]Isochromene-7,12-Dione
• Synonyms: (4As,12Br)-8,10-Dihydroxy-2,5,5,9-Tetramethyl-3,4,4A,12B-Tetrahydronaphtho[3,2-C]Isochromene-7,12-Quinone; (4As-Cis)-3,4A,5,12B-Tetrahydro-8,10-Dihydroxy-2,5,5,9-Tetramethyl-4H-Benzo(D)Naphtho(2,3-B)Pyran-7,12-Dione; 4H-Benzo(D)Naphtho(2,3-B)Pyran-7,12-Dione, 3,4A,5,12B-Tetrahydro-8,10-Dihydroxy-2,5,5,9-Tetramethyl-
• Molecular Formula: C₂₁H₂₂O₅
• Molecular Weight: 354.40
• CAS Registry Number: 128505-88-4
• SMILES: [C@@H]14[C@@H](C(OC3=C1C(=O)C2=CC(=C(C(=C2C3=O)O)C)O)(C)C)CCC(=C4)C
• InChI: 1S/C21H22O5/c1-9-5-6-13-11(7-9)16-18(24)12-8-14(22)10(2)17(23)15(12)19(25)20(16)26-21(13,3)4/h7-8,11,13,22-23H,5-6H2,1-4H3/t11-,13+/m1/s1
• InChIKey: GTEXXGIEZVKSLH-YPMHNXCESA-N

Properties

• Density: 1.364g/cm³ (Cal.)
• Boiling point: 559.246°C at 760 mmHg (Cal.)
• Flash point: 199.406°C (Cal.)