(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 4,6-Di-O-Acetyl-beta-D-Glucopyranoside
[CAS# 101365-10-0]

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 4,6-Di-O-Acetyl-beta-D-Glucopyranoside
• Molecular Formula: C₄₇H₇₄O₁₅
• Molecular Weight: 879.08
• CAS Registry Number: 101365-10-0
• 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](OC(=O)C)[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/C47H74O15/c1-23(2)13-12-14-24(3)35-31(60-43-39(55)37(53)40(59-27(6)50)33(61-43)22-56-25(4)48)20-47(11)41-30(51)19-29-28(45(41,9)17-18-46(35,47)10)15-16-34(44(29,7)8)62-42-38(54)36(52)32(21-57-42)58-26(5)49/h13,19,24,28,30-43,51-55H,12,14-18,20-22H2,1-11H3/t24-,28+,30-,31+,32-,33-,34?,35+,36+,37-,38-,39-,40-,41?,42+,43-,45+,46-,47+/m1/s1
• InChIKey: CASUNJDNTPMYBY-MYXCKKJYSA-N

Properties

• Density: 1.266g/cm³ (Cal.)
• Boiling point: 861.947°C at 760 mmHg (Cal.)
• Flash point: 240.327°C (Cal.)
• Refractive index: 1.567 (Cal.)