CAS: 141973-41-3; 3-((E)-2-((1R,4As,5R,6R,8Ar)-6-Hydroxy-5,8A-Dimethyl-2-Methylene-5-((((2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)Methyl)Decahydronaphthalen-1-yl)Vinyl)Furan-2(5H)-One

• 英文名称3-((E)-2-((1R,4As,5R,6R,8Ar)-6-Hydroxy-5,8A-Dimethyl-2-Methylene-5-((((2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)Methyl)Decahydronaphthalen-1-yl)Vinyl)Furan-2(5H)-One
• 中文名称14-脱氧-11,12-二脱氢穿心莲内酯苷
• IUPAC名称3-((E)-2-((1R,4aS,5R,6R,8aR)-6-hydroxy-5,8a-dimethyl-2-methylene-5-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)decahydronaphthalen-1-yl)vinyl)furan-2(5H)-one
• 其它别名14-Deoxy-11,12-Didehydroandrogra; 14-Deoxy-11,12-Didehydroandrographiside; 4-[(E)-2-[(1R,4As,5R,6R,8Ar)-6-Hydroxy-5,8A-Dimethyl-2-Methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxymethyl]-3,4,4A,6,7,8-Hexahydro-1H-Naphthalen-1-Yl]Ethenyl]-2H-Furan-5-One; 2(5H)-Furanone, 3-[(1E)-2-[(1R,4As,5R,6R,8Ar)-5-[(β-D-Glucopyranosyloxy)Methyl]Decahydro-6-Hydroxy-5,8A-Dimethyl-2-Methylene-1-Naphthalenyl]Ethenyl]-
• CAS编号141973-41-3
• MFCD编号:MFCD23103731
• 分子式:C26H38O9分子量:494.58
• 产品CID: 642140
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: MWGVWTQBNFFGTG-XCMZMCRNSA-N
• InChI=1S/C26H38O9/c1-14-4-7-18-25(2,16(14)6-5-15-9-11-33-23(15)32)10-8-19(28)26(18,3)13-34-24-22(31)21(30)20(29)17(12-27)35-24/h5-6,9,16-22,24,27-31H,1,4,7-8,10-13H2,2-3H
• 计算化学: 氢键受体数9.0氢键供体数5.0可旋转键数6.0

物理性质

• 沸点714.7±60.0 °C at 760 mmHg
• 闪点237.2±26.4 °C
• 密度1.3±0.1 g/cm3
• pKa:12.93±0.70(预测)
• PSA:145.91
• LogP:-0.14
• 折射率1.602
• 蒸汽压0.0±5.2 mmHg at 25°C
• 外观形态粉末
• 储存条件室温

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
  2901241000-1,3-丁二烯
  2905122000-异丙醇
• 💡 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