(1R,3aR,4S,8S,8aS,9S,11R,12S,12aS,13S,13aR)-4-Chloro-13A-Hydroxy-1,8A,12-Trimethyl-5-Methylene-2-Oxohexadecahydro-11,12-Epoxybenzo[4,5]Cyclodeca[1,2-b]Furan-8,9,13-Triyl Triacetate
[CAS# 62950-37-2]

Identification

• Name: (1R,3aR,4S,8S,8aS,9S,11R,12S,12aS,13S,13aR)-4-Chloro-13A-Hydroxy-1,8A,12-Trimethyl-5-Methylene-2-Oxohexadecahydro-11,12-Epoxybenzo[4,5]Cyclodeca[1,2-b]Furan-8,9,13-Triyl Triacetate
• Synonyms: stylatulide
• Molecular Formula: C₂₆H₃₅ClO₁₀
• Molecular Weight: 543.00
• CAS Registry Number: 62950-37-2
• SMILES: CC(=O)O[C@H]3CC/C(=C)[C@H](Cl)[C@@H]4OC(=O)[C@H](C)[C@@]4(O)[C@@H](OC(C)=O)[C@@H]2[C@]3(C)[C@H](C[C@H]1O[C@]12C)OC(C)=O
• InChI: 1S/C26H35ClO10/c1-11-8-9-16(33-13(3)28)24(6)17(34-14(4)29)10-18-25(7,37-18)20(24)22(35-15(5)30)26(32)12(2)23(31)36-21(26)19(11)27/h12,16-22,32H,1,8-10H2,2-7H3/t12-,16-,17-,18+,19-,20+,21-,22-,24-,25+,26-/m0/s1
• InChIKey: VKJSSXMYIAMRMY-DRLYWPJKSA-N

Properties

• Density: 1.335g/cm³ (Cal.)
• Boiling point: 596.339°C at 760 mmHg (Cal.)
• Flash point: 314.455°C (Cal.)