CAS: 83150-97-4; ((3R,3Ar,4R,6As,8As,11S,13R,13As,13Bs)-3,13-Dihydroxy-4-Methyl-10-Methylene-8,9-Dioxododecahydro-1H,8H-8A,11-Methanocyclohepta[c]Furo[3,4-E]Chromen-4-yl)Methyl Acetate

• 英文名称((3R,3Ar,4R,6As,8As,11S,13R,13As,13Bs)-3,13-Dihydroxy-4-Methyl-10-Methylene-8,9-Dioxododecahydro-1H,8H-8A,11-Methanocyclohepta[c]Furo[3,4-E]Chromen-4-yl)Methyl Acetate
• 中文名称((3R,3AR,4R,6AS,8AS,11S,13R,13AS,13BS)-3,13-二羟基-4-甲基-10-亚甲基-8,9-二氧DO十氢-1H,8H-8A,11-亚甲基环庚[C]B[3,4-E]色烯-4-基)甲基乙酸酯
• IUPAC名称((3R,3aR,4R,6aS,8aS,11S,13R,13aS,13bS)-3,13-dihydroxy-4-methyl-10-methylene-8,9-dioxododecahydro-1H,8H-8a,11-methanocyclohepta[c]furo[3,4-e]chromen-4-yl)methyl acetate
• 其它别名(12R)-21-Acetyloxy-13-Deoxy-5β-Hydroxyenmein; Carpalasionin; (5Beta,12Alpha)-21-(Acetyloxy)-13-Deoxy-5-Hydroxyenmein; 7H-5A,8-Methano-11H-Cyclohepta[c]Furo[3,4-E][1]Benzopyran-5,6-Dione, 1-[(Acetyloxy)Methyl]Decahydro-10,13-Dihydroxy-1-Methyl-7-Methylene-, (1R,3As,5As,8S,10R,10As,10Bs,13R,13Ar)-
• CAS编号83150-97-4
• MFCD编号:MFCD32644988
• 分子式:C22H28O8分子量:420.46
• 产品CID: 1820564
• 产品分类天然产物 → 萜类

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: WORCTCAHGPHFQO-WEOPCBAZSA-N
• InChI=1S/C22H28O8/c1-10-12-6-13(24)15-21(7-12,17(10)25)19(27)30-14-4-5-20(3,8-28-11(2)23)16-18(26)29-9-22(14,15)16/h12-16,18,24,26H,1,4-9H2,2-3H3/t12-,13-,14+,15-,16-,18-
• 计算化学: 氢键受体数8.0氢键供体数2.0可旋转键数3.0

物理性质

• 沸点655.9±55.0 °C(预测)
• 闪点229.9±25.0 °C
• 密度1.40±0.1 g/cm3(预测)
• pKa:12.58±0.60(预测)
• PSA:119.36
• LogP:0.7386
• 产品应用该化合物用于研究肝炎,黄麻,胆囊炎和科炎.

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

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2905399001-1,3-丙二醇
• 💡 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