Aspecioside
[CAS# 101915-75-7]

Identification

• Name: Aspecioside
• Synonyms: C08850
• Molecular Formula: C₂₉H₄₂O₁₀
• Molecular Weight: 550.64
• CAS Registry Number: 101915-75-7
• SMILES: [C@]123O[C@H]1C[C@@H]7[C@@]([C@H]2C[C@@H](O)[C@]4([C@]3(O)CC[C@@H]4C5=CC(OC5)=O)C)(CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@@H](O)[C@H]6O)C)C7)C
• InChI: 1S/C29H42O10/c1-13-22(32)23(33)24(34)25(37-13)38-16-4-6-26(2)15(9-16)10-20-29(39-20)18(26)11-19(30)27(3)17(5-7-28(27,29)35)14-8-21(31)36-12-14/h8,13,15-20,22-25,30,32-35H,4-7,9-12H2,1-3H3/t13-,15-,16+,17-,18-,19-,20+,22-,23-,24-,25+,26+,27+,28-,29-/m1/s1
• InChIKey: BEDAFJYDKDOALK-FHLCUQDTSA-N

Properties

• Density: 1.448g/cm³ (Cal.)
• Boiling point: 765.293°C at 760 mmHg (Cal.)
• Flash point: 251.166°C (Cal.)