CAS: 56421-13-7; 3-((3S,3Ar,5Ar,6S,7S,9Ar,9Br)-3-((2S,5S)-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,5S)-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,5S)-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,5S)-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(20S,24S)-20,24-Epoxy-25-Hydroxy-3,4-Seco-5α-Dammar-4(28)-En-3-Oic Acid; (20S,24S)-20,24-Epoxy-25-Hydroxy-3,4-Secodammar-4(28)-En-3-Oic Acid; Eichlerianic Acid; 1H-Benz[e]Indene-6-Propanoic Acid, Dodecahydro-6,9A,9B-Trimethyl-7-(1-Methylethenyl)-3-[(2S,5S)-Tetrahydro-5-(1-Hydroxy-1-Methylethyl)-2-Methyl-2-Furanyl]-, (3S,3Ar,5Ar,6S,7S,9Ar,9Br)-
• CAS编号56421-13-7
• MFCD编号:MFCD20260459
• 分子式:C30H50O4分子量:474.73
• 产品CID: 1537428
• 产品分类天然产物 → 萜类

• 相似结构搜索
• 产品信息参考;
• InChIKey: ZKBGKWZSOPPDSD-ZFQFSHTNSA-N
• InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,2
• 计算化学: 氢键受体数4.0氢键供体数2.0可旋转键数6.0

物理性质

• 沸点566.5±45.0 °C at 760 mmHg
• 闪点176.2±22.2 °C
• 密度1.0±0.1 g/cm3
• PSA:66.76
• LogP:7.001

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

• 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