(3beta,15alpha,25R)-15-[(2-Acetamido-2-deoxy-beta-D-glucopyranosyl)oxy]-3-hydroxycholest-5-en-27-yl acetate
[CAS# 94480-49-6]

Identification

• Name: (3beta,15alpha,25R)-15-[(2-Acetamido-2-deoxy-beta-D-glucopyranosyl)oxy]-3-hydroxycholest-5-en-27-yl acetate
• Molecular Formula: C₃₇H₆₁NO₉
• Molecular Weight: 663.88
• CAS Registry Number: 94480-49-6
• SMILES: CC(=O)OC[C@H](C)CCC[C@@H](C)[C@H]4C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@H]3[C@@H]5C\C=C2\C[C@@H](O)CC[C@]2(C)[C@H]5CC[C@@]34C
• InChI: 1S/C37H61NO9/c1-20(19-45-23(4)41)8-7-9-21(2)28-17-29(46-35-32(38-22(3)40)34(44)33(43)30(18-39)47-35)31-26-11-10-24-16-25(42)12-14-36(24,5)27(26)13-15-37(28,31)6/h10,20-21,25-35,39,42-44H,7-9,11-19H2,1-6H3,(H,38,40)/t20-,21-,25+,26-,27+,28-,29+,30-,31-,32-,33-,34-,35-,36+,37-/m1/s1
• InChIKey: AGGNNZKNWLCKAW-FCVMGCFXSA-N

Properties

• Density: 1.213g/cm³ (Cal.)
• Boiling point: 799.802°C at 760 mmHg (Cal.)
• Flash point: 437.505°C (Cal.)