CAS: 670257-89-3; 3-(Benzoyloxy)-13A-Hydroxy-2,9,9,12-Tetramethyl-5-Methylene-8-(Nicotinoyloxy)-2,3,3A,4,5,6,7,8,9,12,13,13A-Dodecahydro-1H-Cyclopenta[12]Annulene-2,4,6,7,13-Pentayl Pentaacetate

• 英文名称3-(Benzoyloxy)-13A-Hydroxy-2,9,9,12-Tetramethyl-5-Methylene-8-(Nicotinoyloxy)-2,3,3A,4,5,6,7,8,9,12,13,13A-Dodecahydro-1H-Cyclopenta[12]Annulene-2,4,6,7,13-Pentayl Pentaacetate
• 中文名称3-(苯甲酰氧基)-13A-羟基-2,9,9,12-四甲基-5-亚甲基-8-(吡啶氧)-2,3,3A,4,5,6,7,8,9,12,13,13A-DO十氢-1H-H[12]苯并-2,4,6,7,13-五基戊乙酸甲酯
• IUPAC名称3-(benzoyloxy)-13a-hydroxy-2,9,9,12-tetramethyl-5-methylene-8-(nicotinoyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-1H-cyclopenta[12]annulene-2,4,6,7,13-pentayl pentaacetate
• 其它别名Pepluanin A; 3-Pyridinecarboxylic Acid, (2R,3R,3As,4R,6S,7S,8S,10E,12S,13S,13Ar)-2,4,6,7,13-Pentakis(Acetyloxy)-3-(Benzoyloxy)-2,3,3A,4,5,6,7,8,9,12,13,13A-Dodecahydro-13A-Hydroxy-2,9,9,12-Tetramethyl-5-Methylene-1H-Cyclopentacyclododecen-8-Yl Ester
• CAS编号670257-89-3
• MFCD编号:MFCD20274644
• 分子式:C43H51NO15分子量:821.87
• 产品CID: 1652312

• 相似结构搜索
• InChIKey: SHDZRELSKRRBMR-UHFFFAOYSA-N
• InChI=1S/C43H51NO15/c1-23-18-19-41(8,9)38(58-40(51)31-17-14-20-44-21-31)35(55-27(5)47)34(54-26(4)46)24(2)33(53-25(3)45)32-37(57-39(50)30-15-12-11-13-16-30)42(10,59-29(7)4
• 计算化学: 氢键受体数16.0氢键供体数1.0可旋转键数16.0

物理性质

• 沸点783.3±60.0 °C at 760 mmHg
• 闪点427.5±32.9 °C
• 密度1.3±0.1 g/cm3
• PSA:217.22
• LogP:4.4205

MSDS等安全信息

• 危险描述H303 May be harmful if swallowed+H313 Skin contact may be harmful+H333 Inhalation 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