CAS: 1401419-87-1; (4R,4As,6Ar,9S,11Br)-9-Hydroxy-4,11B-Dimethyl-8-Methylene-7-Oxo-1,2,3,4,4A,5,6,7,8,9,10,11B-Dodecahydro-6A,9-Methanocyclohepta[a]Naphthalene-4-Carboxylic Acid

• 英文名称(4R,4As,6Ar,9S,11Br)-9-Hydroxy-4,11B-Dimethyl-8-Methylene-7-Oxo-1,2,3,4,4A,5,6,7,8,9,10,11B-Dodecahydro-6A,9-Methanocyclohepta[a]Naphthalene-4-Carboxylic Acid
• 中文名称(4α)-13-羟基-15-氧代贝壳杉-9(11),16-二烯-18-酸
• IUPAC名称(4R,4aS,6aR,9S,11bR)-9-hydroxy-4,11b-dimethyl-8-methylene-7-oxo-1,2,3,4,4a,5,6,7,8,9,10,11b-dodecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid
• 其它别名Pterisolic Acid C; (4Alpha)-13-Hydroxy-15-Oxokaura-9(11),16-Dien-18-Oic Acid; Kaura-9(11),16-Dien-18-Oic Acid, 13-Hydroxy-15-Oxo-, (4α)-; 13-Hydroxy-5,9-Dimethyl-14-Methylidene-15-Oxotetracyclo[11.2.1.01,10.04,9]Hexadec-10-Ene-5-Carboxylic Acid
• CAS编号1401419-87-1
• MFCD编号:MFCD22200624
• 分子式:C20H26O4分子量:330.42
• 产品CID: 620158
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: MOEGAVNUGPZNDZ-OBHGLWADSA-N
• InChI=1S/C20H26O4/c1-12-15(21)19-9-5-13-17(2,7-4-8-18(13,3)16(22)23)14(19)6-10-20(12,24)11-19/h6,13,24H,1,4-5,7-11H2,2-3H3,(H,22,23)/t13-,17+,18+,19+,20-/m0/s1
• 计算化学: 氢键受体数4.0氢键供体数2.0可旋转键数1.0

物理性质

• 沸点535.2±50.0 °C at 760 mmHg
• 闪点291.5±26.6 °C
• 密度1.3±0.1 g/cm3
• pKa:4.60±0.60(预测)
• PSA:74.6
• LogP:2.41
• 折射率1.596
• 蒸汽压0.0±3.2 mmHg at 25°C
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末
• 储存条件2-8°C，干燥环境，密闭

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
• 危险品标志Xi
• 安全声明H303+H313+H333

合成工艺路线路线简述

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2905143000-叔丁醇
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

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