4-[3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2-methoxyphenyl beta-D-glucopyranoside
[CAS# 28288-98-4]

Identification

• Name: 4-[3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2-methoxyphenyl beta-D-glucopyranoside
• Synonyms: Dactilin; Dactylin; Isor-3-Glc-4'-Glc
• Molecular Formula: C₂₈H₃₂O₁₇
• Molecular Weight: 640.54
• CAS Registry Number: 28288-98-4
• SMILES: O=C2C(\O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)=C(/Oc3cc(O)cc(O)c23)c5ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c5
• InChI: 1S/C28H32O17/c1-40-13-4-9(2-3-12(13)42-27-23(38)21(36)18(33)15(7-29)43-27)25-26(20(35)17-11(32)5-10(31)6-14(17)41-25)45-28-24(39)22(37)19(34)16(8-30)44-28/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3/t15-,16-,18-,19-,21+,22+,23-,24-,27-,28+/m1/s1
• InChIKey: VKVBSQRURLRCHO-QDYVESOYSA-N

Properties

• Density: 1.799g/cm³ (Cal.)
• Boiling point: 991.764°C at 760 mmHg (Cal.)
• Flash point: 324.603°C (Cal.)
• Refractive index: 1.746 (Cal.)