(2S,3S,4R,7S,8R,9R,10S,11R,13S,14R,17R)-13-Chloro-8,17-dimethyl-12-methylene-16-oxospiro[15,18-dioxatetracyclo[9.6.1.0^1,14.0^3,8]octadecane-4,2'-oxirane]-2,7,9,10-tetrayl tetraacetate
[CAS# 86425-67-4]

Identification

• Name: (2S,3S,4R,7S,8R,9R,10S,11R,13S,14R,17R)-13-Chloro-8,17-dimethyl-12-methylene-16-oxospiro[15,18-dioxatetracyclo[9.6.1.0^1,14.0^3,8]octadecane-4,2'-oxirane]-2,7,9,10-tetrayl tetraacetate
• Synonyms: praelolide; Prelolide; Spiro(12H-6,13a-epoxybenzo(4,5)cyclodeca(1,2-b)furan-12,2'-oxiran)-2(1H)-one, 7,8,9,13-tetrakis(acetyloxy)-4-chlorododecahydro-1,8a-dimethyl-5-methylene-, (1α,3aβ,4α,6α,7α,8β,8aβ,9α,12α,12aα,13β,13aα)-
• Molecular Formula: C₂₈H₃₅ClO₁₂
• Molecular Weight: 599.02
• CAS Registry Number: 86425-67-4
• SMILES: O=C(O[C@H]4CC[C@@]1(OC1)[C@@H]5[C@H](OC(=O)C)C23O[C@H](\C(=C)[C@H](Cl)[C@@H]3OC(=O)[C@@H]2C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@]45C)C
• InChI: 1S/C28H35ClO12/c1-11-18(29)22-28(12(2)25(34)40-22)24(39-16(6)33)21-26(7,17(36-13(3)30)8-9-27(21)10-35-27)23(38-15(5)32)20(19(11)41-28)37-14(4)31/h12,17-24H,1,8-10H2,2-7H3/t12-,17-,18-,19+,20-,21+,22-,23-,24-,26-,27-,28?/m0/s1
• InChIKey: VPXKDKFGKRSWEO-KPWBCOCKSA-N

Properties

• Density: 1.387g/cm³ (Cal.)
• Boiling point: 686.26°C at 760 mmHg (Cal.)
• Flash point: 210.257°C (Cal.)