6-((4-O-beta-D-Glucopyranosyl-D-glucopyranosyl)oxy)-2-hydroxy-5-methoxy-9-phenyl-1H-Phenalen-1-one
[CAS# 20559-12-0]

Identification

• Name: 6-((4-O-beta-D-Glucopyranosyl-D-glucopyranosyl)oxy)-2-hydroxy-5-methoxy-9-phenyl-1H-Phenalen-1-one
• Synonyms: 2-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-6-Hydroxy-5-Methoxy-9-Phenyl-Phenalen-1-One; 2-[[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-6-Hydroxy-5-Methoxy-9-Phenyl-1-Phenalenone; 2-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-Methylol-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-6-Hydroxy-5-Methoxy-9-Phenyl-Phenalen-1-One
• Molecular Formula: C₃₂H₃₄O₁₄
• Molecular Weight: 642.61
• CAS Registry Number: 20559-12-0
• SMILES: [C@H]6(O[C@@H]5[C@H](O[C@@H](OC4=CC1=CC(=C(C2=C1C(=C(C=C2)C3=CC=CC=C3)C4=O)O)OC)[C@@H]([C@H]5O)O)CO)[C@@H]([C@@H](O)[C@@H]([C@H](O6)CO)O)O
• InChI: 1S/C32H34O14/c1-42-17-9-14-10-18(24(36)22-15(13-5-3-2-4-6-13)7-8-16(21(14)22)23(17)35)43-31-29(41)27(39)30(20(12-34)45-31)46-32-28(40)26(38)25(37)19(11-33)44-32/h2-10,19-20,25-35,37-41H,11-12H2,1H3/t19-,20-,25-,26+,27-,28-,29-,30-,31-,32+/m1/s1
• InChIKey: FNZZYRONWCJZTM-CXWOCMNWSA-N

Properties

• Density: 1.653g/cm³ (Cal.)
• Boiling point: 996.961°C at 760 mmHg (Cal.)
• Flash point: 322.877°C (Cal.)