(2'R,3a'R,4'S,7a'R)-4'-Hydroxy-2',4',6'-trimethyl-3'-oxo-2',3',3a',4'-tetrahydrospiro[cyclopropane-1,5'-inden]-7a'(1'H)-yl beta-D-glucopyranoside
[CAS# 87625-62-5]

Identification

• Name: (2'R,3a'R,4'S,7a'R)-4'-Hydroxy-2',4',6'-trimethyl-3'-oxo-2',3',3a',4'-tetrahydrospiro[cyclopropane-1,5'-inden]-7a'(1'H)-yl beta-D-glucopyranoside
• Synonyms: ptaquiloside
• Molecular Formula: C₂₀H₃₀O₈
• Molecular Weight: 398.45
• CAS Registry Number: 87625-62-5
• SMILES: C[C@@H]1C[C@]2(C=C(C3(CC3)[C@@]([C@H]2C1=O)(C)O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
• InChI: 1S/C20H30O8/c1-9-6-20(28-17-15(25)14(24)13(23)11(8-21)27-17)7-10(2)19(4-5-19)18(3,26)16(20)12(9)22/h7,9,11,13-17,21,23-26H,4-6,8H2,1-3H3/t9-,11-,13-,14+,15-,16-,17+,18+,20-/m1/s1
• InChIKey: GPHSJPVUEZFIDE-YVPLJZHISA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 620.7±55.0°C at 760 mmHg (Cal.)
• Flash point: 218.2±25.0°C (Cal.)