(1R,3E,5S,9R,12E)-3,12-Dimethyl-8-Methylene-6,18-Dioxatricyclo[14.2.1.0^5,9]Nonadeca-3,12,16(19)-Triene-7,17-Dione
[CAS# 3484-37-5]

Identification

• Name: (1R,3E,5S,9R,12E)-3,12-Dimethyl-8-Methylene-6,18-Dioxatricyclo[14.2.1.0^5,9]Nonadeca-3,12,16(19)-Triene-7,17-Dione
• Synonyms: (3aR,6E,13R,15E,16aS)-6,15-dimethyl-3-methylidene-3a,4,5,8,9,13,14,16a-octahydro-13,10-(metheno)furo[2,3-f]oxacyclopentadecine-2,11(3H)-dione; (3E,12E)-3,12-Dimethyl-8-methylene-6,18-dioxa-tricyclo(14.2.1.0.5,9)nonadeca-3,12,16(19)-triene-7,17-dione; 11H-13,10-methenofuro[2,3-f]oxacyclopentadecin-2,11(3H)-dione, 3a,4,5,8,9,13,14,16a-octahydro-6,15-dimethyl-3-methylene-, (3aR,6E,13R,15E,16aS)-
• Molecular Formula: C₂₀H₂₄O₄
• Molecular Weight: 328.40
• CAS Registry Number: 3484-37-5
• SMILES: C/C/1=C\CCC2=C[C@@H](C/C(=C/[C@H]3[C@H](CC1)C(=C)C(=O)O3)/C)OC2=O
• InChI: 1S/C20H24O4/c1-12-5-4-6-15-11-16(23-20(15)22)9-13(2)10-18-17(8-7-12)14(3)19(21)24-18/h5,10-11,16-18H,3-4,6-9H2,1-2H3/b12-5+,13-10+/t16-,17-,18+/m1/s1
• InChIKey: KTYZKXFERQUCPX-XGKXUXTPSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 572.7±50.0°C at 760 mmHg (Cal.)
• Flash point: 299.1±28.5°C (Cal.)

References

• (1): Toubiana Raoul, Toubiana Marie-Jos�phe, McPhail Andrew T., Miller Richard W., Tori Kazuo. Structures and conformations of the fourteen-membered ring diterpene ovatodiolide and its acid cyclization product: nuclear Overhauser effect studies in solution and X-ray crystal structure analyses of ovatodiolide and ovatodiolic acid, Journal of the Chemical Society, Perkin Transactions 2, 1976