(1R,3E,5S,9R,12E)-3,12-二甲基-8-亚甲基-6,18-二氧杂三环[14.2.1.0^5,9]十九-3,12,16(19)-三烯-7,17-二酮
[CAS# 3484-37-5]

基本信息

• 产品名称: (1R,3E,5S,9R,12E)-3,12-二甲基-8-亚甲基-6,18-二氧杂三环[14.2.1.0^5,9]十九-3,12,16(19)-三烯-7,17-二酮
• 英文名: (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
• 别名: (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)-
• 分子式: C₂₀H₂₄O₄
• 分子量: 328.40
• CAS 登录号: 3484-37-5
• 分子行输入简码 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
• 国际化学标识码 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
• 国际化学标识检索码 InChIKey: KTYZKXFERQUCPX-XGKXUXTPSA-N

物理化学性质

• 密度: 1.2±0.1g/cm³ （计算值）
• 沸点: 572.7±50.0°C at 760 mmHg （计算值）
• 闪点: 299.1±28.5°C （计算值）

参考文献

• (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