(4R,7R,8xi,9beta,16beta)-1-[(4-O-Acetyl-beta-D-xylopyranosyl)oxy]-7-hydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-16-yl 6-O-acetyl-beta-D-glucopyranoside
[CAS# 89456-98-4]

Identification

• Name: (4R,7R,8xi,9beta,16beta)-1-[(4-O-Acetyl-beta-D-xylopyranosyl)oxy]-7-hydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-16-yl 6-O-acetyl-beta-D-glucopyranoside
• Molecular Formula: C₄₅H₇₂O₁₄
• Molecular Weight: 837.04
• CAS Registry Number: 89456-98-4
• SMILES: O=C(O[C@H]6[C@H](O)[C@@H](O)[C@H](OC4C(/C3=C/[C@@H](O)C2[C@]5(C)C[C@H](O[C@@H]1O[C@H](COC(=O)C)[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)OC6)C
• InChI: 1S/C45H72O14/c1-22(2)12-11-13-23(3)33-29(57-41-38(53)36(51)34(49)31(58-41)20-54-24(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)59-40-37(52)35(50)30(21-55-40)56-25(5)47/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: RKJPAJOYCCHXQX-OLZOPSFVSA-N

Properties

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