6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-Dihydroxy-4-(Hydroxymethyl)Oxolan-2-Yl]Oxymethyl]-3,4,5-Trihydroxyoxan-2-Yl]Oxy-5-Hydroxy-8-Methoxy-2,9-Dimethylbenzo[g]Chromen-4-One
[CAS# 132922-81-7]

Identification

• Name: 6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-Dihydroxy-4-(Hydroxymethyl)Oxolan-2-Yl]Oxymethyl]-3,4,5-Trihydroxyoxan-2-Yl]Oxy-5-Hydroxy-8-Methoxy-2,9-Dimethylbenzo[g]Chromen-4-One
• Synonyms: 6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-Dihydroxy-4-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Oxymethyl]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-5-Hydroxy-8-Methoxy-2,9-Dimethyl-Benzo[G]Chromen-4-One; 6-[[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-Dihydroxy-4-(Hydroxymethyl)-2-Tetrahydrofuranyl]Oxymethyl]-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-5-Hydroxy-8-Methoxy-2,9-Dimethyl-4-Benzo[G]Chromenone; 6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-Dihydroxy-4-Methylol-Tetrahydrofuran-2-Yl]Oxymethyl]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-5-Hydroxy-8-Methoxy-2,9-Dimethyl-Benzo[G]Chromen-4-One
• Molecular Formula: C₂₇H₃₂O₁₄
• Molecular Weight: 580.54
• CAS Registry Number: 132922-81-7
• SMILES: [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO[C@@H]2OC[C@@]([C@H]2O)(CO)O)OC3=CC(=C(C4=CC5=C(C(=C34)O)C(C=C(O5)C)=O)C)OC)O)O)O
• InChI: 1S/C27H32O14/c1-10-4-13(29)19-15(39-10)5-12-11(2)14(36-3)6-16(18(12)21(19)31)40-25-23(33)22(32)20(30)17(41-25)7-37-26-24(34)27(35,8-28)9-38-26/h4-6,17,20,22-26,28,30-35H,7-9H2,1-3H3/t17-,20-,22+,23-,24+,25-,26-,27-/m1/s1
• InChIKey: OILHXJPQNHMBHT-WIEAWUDUSA-N

Properties

• Density: 1.641g/cm³ (Cal.)
• Boiling point: 888.395°C at 760 mmHg (Cal.)
• Flash point: 295.124°C (Cal.)