10-Hydroxy-8-[(2R,4S,5R)-5-Hydroxy-4-(Hydroxymethyl)-1,3-Dioxan-2-Yl]-3-Methyl-7-(2-Oxopropyl)-1-Propyl-1H-Benzo[g]Isochromene-6,9-Dione
[CAS# 142450-08-6]

Identification

• Name: 10-Hydroxy-8-[(2R,4S,5R)-5-Hydroxy-4-(Hydroxymethyl)-1,3-Dioxan-2-Yl]-3-Methyl-7-(2-Oxopropyl)-1-Propyl-1H-Benzo[g]Isochromene-6,9-Dione
• Synonyms: 7-Acetonyl-10-Hydroxy-8-[(2R,4S,5R)-5-Hydroxy-4-(Hydroxymethyl)-1,3-Dioxan-2-Yl]-3-Methyl-1-Propyl-1H-Benzo[G]Isochromene-6,9-Dione; 7-Acetonyl-10-Hydroxy-8-[(2R,4S,5R)-5-Hydroxy-4-Methylol-1,3-Dioxan-2-Yl]-3-Methyl-1-Propyl-1H-Benzo[G]Isochromene-6,9-Quinone; 1H-Naphtho(2,3-C)Pyran-6,9-Dione, 8-(5-Hydroxy-4-(Hydroxymethyl)-1,3-Dioxan-2-Yl)-3-Methyl-7-(2-Oxopropyl)-1-Propyl-
• Molecular Formula: C₂₅H₂₈O₉
• Molecular Weight: 472.49
• CAS Registry Number: 142450-08-6
• SMILES: [C@@H]1(O[C@H]([C@H](O)CO1)CO)C2=C(C(=O)C3=C(C2=O)C(=C4C(=C3)C=C(OC4CCC)C)O)CC(=O)C
• InChI: 1S/C25H28O9/c1-4-5-17-19-13(7-12(3)33-17)8-15-20(23(19)30)24(31)21(14(22(15)29)6-11(2)27)25-32-10-16(28)18(9-26)34-25/h7-8,16-18,25-26,28,30H,4-6,9-10H2,1-3H3/t16-,17?,18+,25-/m1/s1
• InChIKey: UYZRGLQTRZRYKC-ZKCKRPFPSA-N

Properties

• Density: 1.353g/cm³ (Cal.)
• Boiling point: 718.374°C at 760 mmHg (Cal.)
• Flash point: 244.68°C (Cal.)