CAS: 20086-07-1; (2R,6S,6As,7R,9R,10Ar,10Bs)-2-(Furan-3-yl)-9-Hydroxy-10B-Methyl-4-Oxodecahydro-4H-3A,6-Methanobenzo[c]Furo[3,2-E]Oxepine-7-Carboxylic Acid

• 英文名称(2R,6S,6As,7R,9R,10Ar,10Bs)-2-(Furan-3-yl)-9-Hydroxy-10B-Methyl-4-Oxodecahydro-4H-3A,6-Methanobenzo[c]Furo[3,2-E]Oxepine-7-Carboxylic Acid
• 中文名称黄药子素C
• IUPAC名称(2R,6S,6aS,7R,9R,10aR,10bS)-2-(furan-3-yl)-9-hydroxy-10b-methyl-4-oxodecahydro-4H-3a,6-methanobenzo[c]furo[3,2-e]oxepine-7-carboxylic acid
• 其它别名Diosbulbin C; (2R)-2-(3-Furyl)-1,2,6,6Aβ,7,8,9,10,10Aα,10B-Decahydro-9α-Hydroxy-10Bβ-Methyl-4-Oxo-4H-3Aβ,6β-Methanofuro[2,3-D][2]Benzoxepine-7α-Carboxylic Acid; Airpotato Yam C; 4H-3A,6-Methanofuro[2,3-D][2]Benzoxepin-7-Carboxylic Acid, 2-(3-Furanyl)Decahydro-9-Hydroxy-10B-Methyl-4-Oxo-, (2R,3As,6S,6As,7R,9R,10Ar,10Bs)-
• CAS编号20086-07-1
• MFCD编号:MFCD20260750
• 分子式:C19H22O7分子量:362.38
• 产品CID: 1021388
• 产品分类天然产物 → 萜类

• 相似结构搜索
• 产品信息参考;;
• InChIKey: UYALWPKCIMKALF-XBHMPIGQSA-N
• InChI=1S/C19H22O7/c1-18-6-13(9-2-3-24-8-9)26-19(18)7-14(25-17(19)23)15-11(16(21)22)4-10(20)5-12(15)18/h2-3,8,10-15,20H,4-7H2,1H3,(H,21,22)/t10-,11+,12+,13+,14-,15+,18-,19
• 计算化学: 氢键受体数7.0氢键供体数2.0可旋转键数2.0

物理性质

• 熔点247-250 °C
• 沸点606.0±55.0 °C(预测)
• 闪点320.3 °C
• 密度1.46±0.1 g/cm3(预测)
• pKa:4.36±0.70(预测)
• PSA:106.2
• LogP:1.9031
• 折射率1.62
• 蒸汽压1.55E-15 mmHg at 25 °C
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末

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

海关参考信息

• 2905122000-异丙醇
  2905143000-叔丁醇
  2905310000-1,2-乙二醇
  2905320000-1,2-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