CAS: 1220508-29-1; Methyl (S)-2-Acetoxy-2-((4R,4Ar,6As,7R,8S,11R,12Bs)-4-(Furan-3-yl)-4A,7,9,9-Tetramethyl-2,10,13-Trioxo-1,4,4A,5,6,6A,7,8,9,10,11,12B-Dodecahydro-2H-7,11-Methanocycloocta[f]Isochromen-8-yl)Acetate

• 英文名称Methyl (S)-2-Acetoxy-2-((4R,4Ar,6As,7R,8S,11R,12Bs)-4-(Furan-3-yl)-4A,7,9,9-Tetramethyl-2,10,13-Trioxo-1,4,4A,5,6,6A,7,8,9,10,11,12B-Dodecahydro-2H-7,11-Methanocycloocta[f]Isochromen-8-yl)Acetate
• 中文名称甲基(S)-2-乙酰氧基-2-((4R,4AR,6AS,7R,8S,11R,12BS)-4-(呋喃-3-基)-4A,7,9,9-四甲基-2,10,13-三氧代-1,4,4A,5,6,6A,7,8,9,10,11,12B-DO十氢-2H-7,11-甲烷环辛A[F]异色烯-8-基)乙酸酯
• IUPAC名称methyl (S)-2-acetoxy-2-((4R,4aR,6aS,7R,8S,11R,12bS)-4-(furan-3-yl)-4a,7,9,9-tetramethyl-2,10,13-trioxo-1,4,4a,5,6,6a,7,8,9,10,11,12b-dodecahydro-2H-7,11-methanocycloocta[f]isochromen-8-yl)acetate
• 其它别名Khayaleid E; Khayalenoid E; 7,11-Methano-2H-Cycloocta[f][2]Benzopyran-8-Acetic Acid, α-(Acetyloxy)-4-(3-Furanyl)-1,4,4A,5,6,6A,7,8,9,10,11,12B-Dodecahydro-4A,7,9,9-Tetramethyl-2,10,13-Trioxo-, Methyl Ester, (αs,4R,4Ar,6As,7R,8S,11S,12Bs)-; Khayalenoid
• CAS编号1220508-29-1
• MFCD编号:MFCD20261041
• 分子式:C29H34O9分子量:526.58
• 产品CID: 315000

• 相似结构搜索
• InChIKey: YEAXMHFWUBJUEN-JLICFTCYSA-N
• InChI=1S/C29H34O9/c1-14(30)37-21(26(34)35-6)22-27(2,3)23(32)17-11-16-18(29(22,5)24(17)33)7-9-28(4)19(16)12-20(31)38-25(28)15-8-10-36-13-15/h8,10-11,13,17-19,21-22,25H,7,9
• 计算化学: 氢键受体数9.0氢键供体数*可旋转键数6.0

物理性质

• 沸点670.4±55.0 °C at 760 mmHg
• 闪点359.3±31.5 °C
• 密度1.3±0.1 g/cm3
• PSA:126.18
• LogP:3.7615

MSDS等安全信息

• 危险描述H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
• 防范说明P264+P280+P305+P351+P338+P337+P313
• 安全声明H303+H313+H333

合成工艺路线路线简述

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管