Herbacetin-3,8-Diglucopyranoside
[CAS# 99224-12-1]

Identification

• Name: Herbacetin-3,8-Diglucopyranoside
• Synonyms: 5,7-Dihydroxy-2-(4-Hydroxyphenyl)-3,8-Bis[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy]Chromen-4-One; 5,7-Dihydroxy-2-(4-Hydroxyphenyl)-3,8-Bis[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4-
• Molecular Formula: C₂₇H₃₀O₁₇
• Molecular Weight: 626.52
• CAS Registry Number: 99224-12-1
• SMILES: [C@@H]5(OC3=C(OC2=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C(=CC(=C2C3=O)O)O)C4=CC=C(O)C=C4)O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO
• InChI: 1S/C27H30O17/c28-6-12-15(33)18(36)20(38)26(40-12)43-23-11(32)5-10(31)14-17(35)25(22(42-24(14)23)8-1-3-9(30)4-2-8)44-27-21(39)19(37)16(34)13(7-29)41-27/h1-5,12-13,15-16,18-21,26-34,36-39H,6-7H2/t12-,13-,15-,16-,18+,19+,20-,21-,26+,27+/m1/s1
• InChIKey: VMOKZQAQPBUNRW-PXJYGDGDSA-N

Properties

• Density: 1.891g/cm³ (Cal.)
• Boiling point: 1030.427°C at 760 mmHg (Cal.)
• Flash point: 339.684°C (Cal.)