CAS: 130288-60-7; (1R,3S,3As,5As,5Bs,6S,7Ar,9S,11As,13Ar,13Bs)-3-Isopropyl-3A,5A,8,8,11A,13A-Hexamethyl-2,3,3A,4,5,5A,5B,6,7,7A,8,9,10,11,11A,13,13A,13B-Octadecahydro-1H-Cyclopenta[a]Chrysene-1,6,9-Triol

• 英文名称(1R,3S,3As,5As,5Bs,6S,7Ar,9S,11As,13Ar,13Bs)-3-Isopropyl-3A,5A,8,8,11A,13A-Hexamethyl-2,3,3A,4,5,5A,5B,6,7,7A,8,9,10,11,11A,13,13A,13B-Octadecahydro-1H-Cyclopenta[a]Chrysene-1,6,9-Triol
• 中文名称茜草乔木醇 B
• IUPAC名称(1R,3S,3aS,5aS,5bS,6S,7aR,9S,11aS,13aR,13bS)-3-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene-1,6,9-triol
• 其它别名3β,7β,19α-Trihydroxy-5α-Arbor-9(11)-Ene; Rubiarbonol B; A'-Neo-26,28-Dinorgammacer-9(11)-Ene-3,7,19-Triol,13,17-Dimethyl-, (3B,7B,19A,21B)-; A'-Neo-26,28-Dinorgammacer-9(11)-Ene-3,7,19-Triol, 13,17-Dimethyl-, (3β,7β,19α,21β)-
• CAS编号130288-60-7
• MFCD编号:MFCD20274966
• 分子式:C30H50O3分子量:458.73
• 产品CID: 460916
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: PZBGHZIQCYOWLL-YMHFVTRVSA-N
• InChI=1S/C30H50O3/c1-17(2)19-15-21(32)25-28(19,6)13-14-29(7)24-18(9-12-30(25,29)8)27(5)11-10-23(33)26(3,4)22(27)16-20(24)31/h9,17,19-25,31-33H,10-16H2,1-8H3/t19-,20-,21+,
• 计算化学: 氢键受体数3.0氢键供体数3.0可旋转键数1.0

物理性质

• 沸点555.2±50.0 °C(预测)
• 闪点226.5±24.7 °C
• 密度1.09±0.1 g/cm3(预测)
• pKa:14.69±0.70(预测)
• PSA:60.69
• LogP:5.9664

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
  2905141000-异丁醇
• 💡 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