(11alpha,12beta,16alpha)-13-(Acetyloxy)-16-(beta-D-Glucopyranosyloxy)-2-Methoxy-11,12-(Methylenebis(Oxy))-Picras-2-En-1-One
[CAS# 135638-54-9]

Identification

• Name: (11alpha,12beta,16alpha)-13-(Acetyloxy)-16-(beta-D-Glucopyranosyloxy)-2-Methoxy-11,12-(Methylenebis(Oxy))-Picras-2-En-1-One
• Molecular Formula: C₃₀H₄₄O₁₃
• Molecular Weight: 612.67
• CAS Registry Number: 135638-54-9
• SMILES: C(C6C(C(C(C(OC5OC3C2(C(C(C1OCOC1C2C4(C(C3)C(C=C(C4=O)OC)C)C)(C)OC(C)=O)C5)C)O6)O)O)O)O
• InChI: 1S/C30H44O13/c1-12-7-15(37-6)25(36)28(3)14(12)8-18-29(4)17(30(5,43-13(2)32)26-23(24(28)29)38-11-39-26)9-19(41-18)42-27-22(35)21(34)20(33)16(10-31)40-27/h7,12,14,16-24,26-27,31,33-35H,8-11H2,1-6H3
• InChIKey: NLABKWWGROHMBZ-UHFFFAOYSA-N

Properties

• Density: 1.414g/cm³ (Cal.)
• Boiling point: 750.947°C at 760 mmHg (Cal.)
• Flash point: 239.081°C (Cal.)