(4R,7R,8xi,9alpha,16alpha)-7-Hydroxy-9,10,14-trimethyl-1-(beta-D-xylopyranosyloxy)-4,9-cyclo-9,10-secocholesta-5,24-dien-16-yl 6-O-acetyl-beta-D-allopyranoside
[CAS# 89203-39-4]

Identification

• Name: (4R,7R,8xi,9alpha,16alpha)-7-Hydroxy-9,10,14-trimethyl-1-(beta-D-xylopyranosyloxy)-4,9-cyclo-9,10-secocholesta-5,24-dien-16-yl 6-O-acetyl-beta-D-allopyranoside
• Molecular Formula: C₄₃H₇₀O₁₃
• Molecular Weight: 795.01
• CAS Registry Number: 89203-39-4
• SMILES: O=C(OC[C@H]6O[C@@H](O[C@@H]5C[C@]4(C)[C@](C)(CC[C@@]3(C)C4[C@H](O)/C=C2/C(C)(C)C(O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)CC[C@@H]23)[C@H]5[C@H](C)CC\C=C(/C)C)[C@H](O)[C@H](O)[C@@H]6O)C
• InChI: 1S/C43H70O13/c1-21(2)11-10-12-22(3)31-28(54-39-36(51)34(49)33(48)29(55-39)20-52-23(4)44)18-43(9)37-26(45)17-25-24(41(37,7)15-16-42(31,43)8)13-14-30(40(25,5)6)56-38-35(50)32(47)27(46)19-53-38/h11,17,22,24,26-39,45-51H,10,12-16,18-20H2,1-9H3/t22-,24+,26-,27-,28-,29-,30?,31+,32+,33-,34-,35-,36-,37?,38+,39-,41-,42-,43+/m1/s1
• InChIKey: ZSGIZQTTWRMUOQ-ONRVDQHZSA-N

Properties

• Density: 1.283g/cm³ (Cal.)
• Boiling point: 850.822°C at 760 mmHg (Cal.)
• Flash point: 245.063°C (Cal.)