(2R,6R)-6-[(7beta,8xi,9xi,14xi,15beta,17beta)-7-(beta-D-Galactopyranosyloxy)-3,15-Dihydroxy-10,17-Dimethylgon-5-En-17-Yl]-2-Methylheptyl Acetate
[CAS# 101691-12-7]

Identification

• Name: (2R,6R)-6-[(7beta,8xi,9xi,14xi,15beta,17beta)-7-(beta-D-Galactopyranosyloxy)-3,15-Dihydroxy-10,17-Dimethylgon-5-En-17-Yl]-2-Methylheptyl Acetate
• Molecular Formula: C₃₅H₅₈O₁₀
• Molecular Weight: 638.83
• CAS Registry Number: 101691-12-7
• SMILES: O=C(OC[C@H](C)CCC[C@@H](C)[C@@]4(C)C[C@@H](O)C5C3[C@@H](O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO)/C=C2/CC(O)CC[C@]2(C)C3CC[C@H]45)C
• InChI: 1S/C35H58O10/c1-18(17-43-20(3)37)7-6-8-19(2)35(5)15-25(39)28-23(35)9-10-24-29(28)26(14-21-13-22(38)11-12-34(21,24)4)44-33-32(42)31(41)30(40)27(16-36)45-33/h14,18-19,22-33,36,38-42H,6-13,15-17H2,1-5H3/t18-,19-,22?,23+,24?,25-,26+,27-,28?,29?,30+,31+,32-,33-,34+,35-/m1/s1
• InChIKey: BQSOBKPIUVTEJA-NUZLZNGRSA-N

Properties

• Density: 1.262g/cm³ (Cal.)
• Boiling point: 762.862°C at 760 mmHg (Cal.)
• Flash point: 231.851°C (Cal.)
• Refractive index: 1.577 (Cal.)