(2S,8S,10R,11S,13S,14S,15R,17R,19S,20R,21R)-8-Hydroxy-11-(hydroxymethyl)-19-isopropenyl-4,8,21-trimethyl-5-oxo-17-[(1E,3E)-1,3-tridecadien-1-yl]-7,9,12,16,18,22-hexaoxaheptacyclo[15.4.1.0^1,14.0^2,6 .0^6,10.0^11,13.0^15,19]docos-3-en-20-yl acetate
[CAS# 88497-80-7]

Identification

• Name: (2S,8S,10R,11S,13S,14S,15R,17R,19S,20R,21R)-8-Hydroxy-11-(hydroxymethyl)-19-isopropenyl-4,8,21-trimethyl-5-oxo-17-[(1E,3E)-1,3-tridecadien-1-yl]-7,9,12,16,18,22-hexaoxaheptacyclo[15.4.1.0^1,14.0^2,6 .0^6,10.0^11,13.0^15,19]docos-3-en-20-yl acetate
• Molecular Formula: C₃₈H₅₂O₁₁
• Molecular Weight: 684.81
• CAS Registry Number: 88497-80-7
• SMILES: O=C(O[C@@H]1[C@@H](C)C75O[C@@]2(O[C@]1(C(=C)\C)[C@H](O2)[C@@H]7[C@@H]3O[C@@]3([C@H]6O[C@@](OC64C(=O)\C(=C/[C@H]45)C)(O)C)CO)\C=C\C=C\CCCCCCCCC)C
• InChI: 1S/C38H52O11/c1-8-9-10-11-12-13-14-15-16-17-18-19-35-45-31-27-30-34(21-39,44-30)32-38(47-33(7,42)46-32)26(20-23(4)28(38)41)37(27,49-35)24(5)29(43-25(6)40)36(31,48-35)22(2)3/h16-20,24,26-27,29-32,39,42H,2,8-15,21H2,1,3-7H3/b17-16+,19-18+/t24-,26+,27+,29-,30+,31-,32-,33+,34+,35+,36?,37?,38?/m1/s1
• InChIKey: XMFYGTCNCCVDGI-LNTCKIEHSA-N

Properties

• Density: 1.298g/cm³ (Cal.)
• Boiling point: 755.42°C at 760 mmHg (Cal.)
• Flash point: 227.657°C (Cal.)