(7alpha,8xi,9xi,12alpha,14xi,25R)-7-[(6-O-Acetyl-beta-D-Gulopyranosyl)Oxy]-3,12-Dihydroxycholest-4-En-27-Yl Acetate
[CAS# 101691-11-6]

Identification

• Name: (7alpha,8xi,9xi,12alpha,14xi,25R)-7-[(6-O-Acetyl-beta-D-Gulopyranosyl)Oxy]-3,12-Dihydroxycholest-4-En-27-Yl Acetate
• Molecular Formula: C₃₇H₆₀O₁₁
• Molecular Weight: 680.87
• CAS Registry Number: 101691-11-6
• SMILES: O=C(OC[C@H](C)CCC[C@@H](C)[C@H]4CCC5C3[C@H](O[C@@H]1O[C@@H]([C@H](O)[C@@H](O)[C@H]1O)COC(=O)C)CC/2=C/C(O)CC[C@]\2(C)C3C[C@H](O)[C@]45C)C
• InChI: 1S/C37H60O11/c1-19(17-45-21(3)38)8-7-9-20(2)25-10-11-26-31-27(16-30(41)37(25,26)6)36(5)13-12-24(40)14-23(36)15-28(31)47-35-34(44)33(43)32(42)29(48-35)18-46-22(4)39/h14,19-20,24-35,40-44H,7-13,15-18H2,1-6H3/t19-,20-,24?,25-,26?,27?,28-,29-,30+,31?,32+,33-,34-,35-,36+,37-/m1/s1
• InChIKey: LRSSPUDWEXUPDK-UDZCFNNKSA-N

Properties

• Density: 1.252g/cm³ (Cal.)
• Boiling point: 767.569°C at 760 mmHg (Cal.)
• Flash point: 228.746°C (Cal.)
• Refractive index: 1.566 (Cal.)