(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 4,6-Di-O-Acetyl-beta-D-Allopyranoside
[CAS# 101770-14-3]

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 4,6-Di-O-Acetyl-beta-D-Allopyranoside
• Molecular Formula: C₄₅H₇₂O₁₄
• Molecular Weight: 837.04
• CAS Registry Number: 101770-14-3
• SMILES: O=C(O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O[C@@H]1COC(=O)C)O[C@H]6C[C@]5(C)[C@](C)(CC[C@]4(C)C5[C@H](O)/C=C3/C(C)(C)C(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)CC[C@@H]34)[C@H]6[C@H](C)CC\C=C(/C)C)C
• InChI: 1S/C45H72O14/c1-22(2)12-11-13-23(3)33-30(57-41-37(53)35(51)38(56-25(5)47)31(58-41)21-54-24(4)46)19-45(10)39-28(48)18-27-26(43(39,8)16-17-44(33,45)9)14-15-32(42(27,6)7)59-40-36(52)34(50)29(49)20-55-40/h12,18,23,26,28-41,48-53H,11,13-17,19-21H2,1-10H3/t23-,26+,28-,29-,30+,31-,32?,33+,34+,35+,36-,37-,38-,39?,40+,41-,43+,44-,45+/m1/s1
• InChIKey: HXQKCVLHJXCOGN-AFPYEXPYSA-N

Properties

• Density: 1.274g/cm³ (Cal.)
• Boiling point: 856.008°C at 760 mmHg (Cal.)
• Flash point: 242.518°C (Cal.)
• Refractive index: 1.575 (Cal.)