(7beta,8xi,9xi,12beta,14xi,17alpha,25R)-7-(beta-D-Gulopyranosyloxy)-3,12-dihydroxycholestan-27-yl acetate
[CAS# 101691-14-9]

Identification

• Name: (7beta,8xi,9xi,12beta,14xi,17alpha,25R)-7-(beta-D-Gulopyranosyloxy)-3,12-dihydroxycholestan-27-yl acetate
• Molecular Formula: C₃₅H₆₀O₁₀
• Molecular Weight: 640.84
• CAS Registry Number: 101691-14-9
• 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)CO)CC2CC(O)CC[C@]2(C)C3C[C@@H](O)[C@]45C)C
• InChI: 1S/C35H60O10/c1-18(17-43-20(3)37)7-6-8-19(2)23-9-10-24-29-25(15-28(39)35(23,24)5)34(4)12-11-22(38)13-21(34)14-26(29)44-33-32(42)31(41)30(40)27(16-36)45-33/h18-19,21-33,36,38-42H,6-17H2,1-5H3/t18-,19-,21?,22?,23+,24?,25?,26+,27-,28-,29?,30+,31-,32-,33-,34+,35-/m1/s1
• InChIKey: WEAIGSXIPHVINK-VAQPCFPWSA-N

Properties

• Density: 1.247g/cm³ (Cal.)
• Boiling point: 747.694°C at 760 mmHg (Cal.)
• Flash point: 225.654°C (Cal.)
• Refractive index: 1.568 (Cal.)