(3R,4aR,6aR,12aR,12bR)-3-(2-Hydroxypropan-2-Yl)-6a,12b-Dimethyl-9-[(2S,4S)-4-Methyl-3-Oxohexan-2-Yl]-1,2,3,4a,5,6,12,12a-Octahydrochromeno[6,5-b]Chromene-8,11-Dione
[CAS# 32450-26-3]

Identification

• Name: (3R,4aR,6aR,12aR,12bR)-3-(2-Hydroxypropan-2-Yl)-6a,12b-Dimethyl-9-[(2S,4S)-4-Methyl-3-Oxohexan-2-Yl]-1,2,3,4a,5,6,12,12a-Octahydrochromeno[6,5-b]Chromene-8,11-Dione
• Synonyms: (3R,4Ar,6Ar,12Ar,12Br)-9-[(1S,3S)-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; (3R,4Ar,6Ar,12Ar,12Br)-9-[(1S,3S)-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; (3R,4Ar,6Ar,12Ar,12Br)-3-(1-Hydroxy-1-Methyl-Ethyl)-9-[(1S,3S)-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: 32450-26-3
• SMILES: [C@@]24(OC1=C(C(=O)C=C(C1=O)[C@@H](C(=O)[C@H](CC)C)C)C[C@@H]2[C@@]3([C@H](O[C@H](CC3)C(O)(C)C)CC4)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/t15-,16-,20+,21+,22+,27+,28+/m0/s1
• InChIKey: NTPNSKLZWVYKGK-WWURSIHSSA-N

Properties

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