3-(2-Hydroxypropan-2-Yl)-6a,12b-Dimethyl-9-(4-Methyl-3-Oxohexan-2-Yl)-1,2,3,4a,5,6,12,12a-Octahydrochromeno[6,5-b]Chromene-8,11-Dione
[CAS# 157183-69-2]

Identification

• Name: 3-(2-Hydroxypropan-2-Yl)-6a,12b-Dimethyl-9-(4-Methyl-3-Oxohexan-2-Yl)-1,2,3,4a,5,6,12,12a-Octahydrochromeno[6,5-b]Chromene-8,11-Dione
• Synonyms: 9-(1,3-Dimethyl-2-Oxo-Pentyl)-3-(1-Hydroxy-1-Methyl-Ethyl)-6A,12B-Dimethyl-1,2,3,4A,5,6,12,12A-Octahydrochromeno[6,5-B]Chromene-8,11-Dione; 9-(1,3-Dimethyl-2-Oxopentyl)-3-(1-Hydroxy-1-Methylethyl)-6A,12B-Dimethyl-1,2,3,4A,5,6,12,12A-Octahydrochromeno[6,5-B]Chromene-8,11-Dione; 3-(1-Hydroxy-1-Methyl-Ethyl)-9-(2-Keto-1,3-Dimethyl-Pentyl)-6A,12B-Dimethyl-1,2,3,4A,5,6,12,12A-Octahydrochromeno[6,5-B]Chromene-8,11-Quinone
• Molecular Formula: C₂₈H₄₀O₆
• Molecular Weight: 472.62
• CAS Registry Number: 157183-69-2
• SMILES: C(C(C(=O)C(C4=CC(=O)C3=C(OC2(C(C1(C(OC(CC1)C(O)(C)C)CC2)C)C3)C)C4=O)C)C)C
• InChI: 1S/C28H40O6/c1-8-15(2)23(30)16(3)17-13-19(29)18-14-20-27(6)11-9-21(26(4,5)32)33-22(27)10-12-28(20,7)34-25(18)24(17)31/h13,15-16,20-22,32H,8-12,14H2,1-7H3
• InChIKey: NTPNSKLZWVYKGK-UHFFFAOYSA-N

Properties

• Density: 1.175g/cm³ (Cal.)
• Boiling point: 579.359°C at 760 mmHg (Cal.)
• Flash point: 184.184°C (Cal.)