(4R,7R,8xi,9beta,16beta)-7-Hydroxy-9,10,14-trimethyl-1-(beta-D-xylopyranosyloxy)-4,9-cyclo-9,10-secocholesta-5,24-dien-16-yl beta-D-allopyranoside
[CAS# 101365-08-6]

Identification

• Name: (4R,7R,8xi,9beta,16beta)-7-Hydroxy-9,10,14-trimethyl-1-(beta-D-xylopyranosyloxy)-4,9-cyclo-9,10-secocholesta-5,24-dien-16-yl beta-D-allopyranoside
• Molecular Formula: C₄₁H₆₈O₁₂
• Molecular Weight: 752.97
• CAS Registry Number: 101365-08-6
• SMILES: O[C@H]6[C@H](OC4C(/C3=C/[C@@H](O)C2[C@]5(C)C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@H]([C@H](C)CC\C=C(/C)C)[C@@]5(C)CC[C@@]2(C)[C@H]3CC4)(C)C)OC[C@@H](O)[C@@H]6O
• InChI: 1S/C41H68O12/c1-20(2)10-9-11-21(3)29-26(51-37-34(49)32(47)31(46)27(18-42)52-37)17-41(8)35-24(43)16-23-22(39(35,6)14-15-40(29,41)7)12-13-28(38(23,4)5)53-36-33(48)30(45)25(44)19-50-36/h10,16,21-22,24-37,42-49H,9,11-15,17-19H2,1-8H3/t21-,22+,24-,25-,26+,27-,28?,29+,30+,31-,32-,33-,34-,35?,36+,37-,39+,40-,41+/m1/s1
• InChIKey: MPXQWAXHGMPSTR-CEVSYPAPSA-N

Properties

• Density: 1.293g/cm³ (Cal.)
• Boiling point: 843.154°C at 760 mmHg (Cal.)
• Flash point: 463.723°C (Cal.)
• Refractive index: 1.595 (Cal.)