CAS: 115334-04-8; (9R,10R,13S,14S,17R)-17-((2S,4R,5S)-4,5-Dihydroxy-6-Methoxy-6-Methylheptan-2-yl)-4,4,10,13,14-Pentamethyl-1,2,4,5,6,9,10,11,12,13,14,15,16,17-Tetradecahydro-3H-Cyclopenta[a]Phenanthren-3-One

• 英文名称(9R,10R,13S,14S,17R)-17-((2S,4R,5S)-4,5-Dihydroxy-6-Methoxy-6-Methylheptan-2-yl)-4,4,10,13,14-Pentamethyl-1,2,4,5,6,9,10,11,12,13,14,15,16,17-Tetradecahydro-3H-Cyclopenta[a]Phenanthren-3-One
• 中文名称黄柏呈
• IUPAC名称(9R,10R,13S,14S,17R)-17-((2S,4R,5S)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl)-4,4,10,13,14-pentamethyl-1,2,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one
• 其它别名(23R,24S)-23,24-Dihydroxy-25-Methoxy-5α-Tirucall-7-En-3-One; Phellochin; Lanost-7-En-3-One,23,24-Dihydroxy-25-Methoxy-, (13A,14B,17A,20S,23R,24S)-; Lanost-7-En-3-One, 23,24-Dihydroxy-25-Methoxy-, (13α,14β,17α,20S,23R,24S)-
• CAS编号115334-04-8
• MFCD编号:MFCD17214893
• 分子式:C31H52O4分子量:488.75
• 产品CID: 189298
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: OCURJKDUYAFAQG-RLXWAGRASA-N
• InChI=1S/C31H52O4/c1-19(18-23(32)26(34)28(4,5)35-9)20-12-16-31(8)22-10-11-24-27(2,3)25(33)14-15-29(24,6)21(22)13-17-30(20,31)7/h10,19-21,23-24,26,32,34H,11-18H2,1-9H3/t19
• 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

• 熔点173-175 °C
• 沸点589.2±50.0 °C at 760 mmHg
• 闪点180.1±23.6 °C
• 密度1.1±0.1 g/cm3
• pKa:14.48±0.20(预测)
• PSA:66.76
• LogP:6.83
• 折射率1.534
• 蒸汽压0.0±3.7 mmHg at 25°C
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末
• 储存条件2-8°C，干燥环境，密闭
• 产品应用该化合物是一种生物活性化学物质.

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
  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