CAS: 246868-97-3; 3-((3S,3Ar,5Ar,6S,7S,9Ar,9Br)-3-((2S)-5-Hydroxy-5-(2-Hydroxypropan-2-yl)-2-Methyltetrahydrofuran-2-yl)-6,9A,9B-Trimethyl-7-(Prop-1-En-2-yl)Dodecahydro-1H-Cyclopenta[a]Naphthalen-6-yl)Propanoic Acid

• 英文名称3-((3S,3Ar,5Ar,6S,7S,9Ar,9Br)-3-((2S)-5-Hydroxy-5-(2-Hydroxypropan-2-yl)-2-Methyltetrahydrofuran-2-yl)-6,9A,9B-Trimethyl-7-(Prop-1-En-2-yl)Dodecahydro-1H-Cyclopenta[a]Naphthalen-6-yl)Propanoic Acid
• 中文名称3-((3S,3AR,5AR,6S,7S,9AR,9BR)-3-((2S)-5-羟基-5-(2-羟基丙-2-基)-2-甲基四氢呋喃-2-基)-6,9A,9B-三甲基-7-(丙酸-1-烯-2-基)DO十氢-1H-H[A]萘-6-基)基羧酸
• IUPAC名称3-((3S,3aR,5aR,6S,7S,9aR,9bR)-3-((2S)-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)dodecahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoic acid
• 其它别名Aglinin A; (20S)-24,25-Dihydroxy-20,24-Epoxy-3,4-Secodammar-4(28)-En-3-Oic Acid; 20S,24-Epoxy-24,25-Dihydroxy-3,4-Secodammar-4(28)-En-3-Oic Acid; 1H-Benz[e]Indene-6-Propanoic Acid, Dodecahydro-6,9A,9B-Trimethyl-7-(1-Methylethenyl)-3-[(2S,5S)-Tetrahydro-5-Hydroxy-5-(1-Hydroxy-1-Methylethyl)-2-Methyl-2-Furanyl]-, (3S,3Ar,5Ar,6S,7S,9Ar,9Br)-
• CAS编号246868-97-3
• MFCD编号:MFCD20260477
• 分子式:C30H50O5分子量:490.73
• 产品CID: 1196154
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: UTPZDJKEZVYWGA-KWGMKSPHSA-N
• InChI=1S/C30H50O5/c1-19(2)20-11-16-28(7)23(26(20,5)14-13-24(31)32)10-9-21-22(12-15-27(21,28)6)29(8)17-18-30(34,35-29)25(3,4)33/h20-23,33-34H,1,9-18H2,2-8H3,(H,31,32)/t20-
• 计算化学: 氢键受体数5.0氢键供体数3.0可旋转键数6.0

物理性质

• 沸点595.6±50.0 °C at 760 mmHg
• 闪点184.1±23.6 °C
• 密度1.1±0.1 g/cm3
• PSA:86.99
• LogP:6.321

MSDS等安全信息

• 警示词Warning
• 危险描述H302-H315-H319-H335
• 防范说明P261-P305+P351+P338
• 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