(1S,4aS,5R,7aS)-1-(beta-D-Glucopyranosyloxy)-5-Hydroxy-7-(Hydroxymethyl)-1,4A,5,7A-Tetrahydrocyclopenta[c]Pyran-4-Carboxylic Acid
[CAS# 18842-99-4]

Identification

• Name: (1S,4aS,5R,7aS)-1-(beta-D-Glucopyranosyloxy)-5-Hydroxy-7-(Hydroxymethyl)-1,4A,5,7A-Tetrahydrocyclopenta[c]Pyran-4-Carboxylic Acid
• Synonyms: (1S,4aS,5R,7aS)-1-(β-D-glucopyranosyloxy)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid; cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)-, (1S,4aS,5R,7aS)-; scandoside
• Molecular Formula: C₁₆H₂₂O₁₁
• Molecular Weight: 390.34
• CAS Registry Number: 18842-99-4
• SMILES: C1=C([C@@H]2[C@H]([C@@H]1O)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)CO
• InChI: 1S/C16H22O11/c17-2-5-1-7(19)10-6(14(23)24)4-25-15(9(5)10)27-16-13(22)12(21)11(20)8(3-18)26-16/h1,4,7-13,15-22H,2-3H2,(H,23,24)/t7-,8-,9-,10+,11-,12+,13-,15+,16+/m1/s1
• InChIKey: ZVXWFPTVHBWJOU-AWQYILTISA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Boiling point: 744.1±60.0°C at 760 mmHg (Cal.)
• Flash point: 271.7±26.4°C (Cal.)
• Refractive index: 1.683 (Cal.)