Calonyctin alpha-2B
[CAS# 151864-97-0]

Identification

• Name: Calonyctin alpha-2B
• Synonyms: Dc-2B; Tetradecanoic Acid, 11-((O-6-Deoxy-3-O-(3-Hydroxy-2-Methyl-1-Oxobutyl)-Beta-D-Glucopyranosyl-(1-3)-O-(6-Deoxy-Alpha-L-Mannopyranosyl-(1-2))-O-6-Deoxy-Beta-D-Glucopyranosyl-(1-2)-6-Deoxy-Beta-D-Glucopyranosyl)Oxy)-, Intramol 1,2'''-Ester
• Molecular Formula: C₄₃H₇₄O₂₀
• Molecular Weight: 911.05
• CAS Registry Number: 151864-97-0
• SMILES: [C@H]23OC4O[C@@H]([C@@H](O)C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](OC(=O)C(C(O)C)C)C1OC(=O)CCCCCCCCCC(O[C@@H]2O[C@@H]([C@@H](O)[C@@H]3O)C)C(C)C)C)[C@@H]4O[C@@H]5O[C@@H]([C@H](O)[C@@H](O)[C@H]5O)C)C
• InChI: 1S/C43H74O20/c1-18(2)25-16-14-12-10-9-11-13-15-17-26(45)59-37-34(60-39(53)19(3)20(4)44)29(48)23(7)56-42(37)61-35-30(49)24(8)57-43(62-36-32(51)28(47)22(6)55-41(36)58-25)38(35)63-40-33(52)31(50)27(46)21(5)54-40/h18-25,27-38,40-44,46-52H,9-17H2,1-8H3/t19?,20?,21-,22-,23-,24-,25?,27+,28-,29-,30-,31-,32+,33-,34+,35?,36-,37?,38+,40+,41+,42+,43?/m1/s1
• InChIKey: YMZMABJWBKTPSA-PGQLVXIPSA-N

Properties

• Density: 1.343g/cm³ (Cal.)
• Boiling point: 976.81°C at 760 mmHg (Cal.)
• Flash point: 279.43°C (Cal.)