2-O-Glucosyl-7-Methoxy-1,4(2H)-Benzoxazin-3-One
[CAS# 17622-26-3]

Identification

• Name: 2-O-Glucosyl-7-Methoxy-1,4(2H)-Benzoxazin-3-One
• Synonyms: 7-Methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-4H-1,4-Benzoxazin-3-One; 7-Methoxy-2-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4H-1,4-Benzoxazin-3-One; 7-Methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-4H-1,4-Benzoxazin-3-One
• Molecular Formula: C₁₅H₁₉NO₉
• Molecular Weight: 357.32
• CAS Registry Number: 17622-26-3
• SMILES: [C@@H]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)OC2C(NC3=C(O2)C=C(C=C3)OC)=O
• InChI: 1S/C15H19NO9/c1-22-6-2-3-7-8(4-6)23-15(13(21)16-7)25-14-12(20)11(19)10(18)9(5-17)24-14/h2-4,9-12,14-15,17-20H,5H2,1H3,(H,16,21)/t9-,10-,11+,12-,14+,15?/m1/s1
• InChIKey: PMBZSEOAOIYRMW-XGHDNVSXSA-N

Properties

• Density: 1.611g/cm³ (Cal.)
• Boiling point: 669.321°C at 760 mmHg (Cal.)
• Flash point: 358.593°C (Cal.)