CAS: 6985-35-9; (5R,9R,10R,13S,14S,17S)-17-((3S,5R,6S)-5-Hydroxy-6-(2-Hydroxypropan-2-yl)Tetrahydro-2H-Pyran-3-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(5R,9R,10R,13S,14S,17S)-17-((3S,5R,6S)-5-Hydroxy-6-(2-Hydroxypropan-2-yl)Tetrahydro-2H-Pyran-3-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(5R,9R,10R,13S,14S,17S)-17-((3S,5R,6S)-5-羟基-6-(2-羟基丙-2-基)四氢-2H-吡喃-3-基)-4,4,10,13,14-五甲基-1,2,4,5,6,9,10,11,12,13,14,15,16,17-四十氢-3H-H[A]菲-3-酮
• IUPAC名称(5R,9R,10R,13S,14S,17S)-17-((3S,5R,6S)-5-hydroxy-6-(2-hydroxypropan-2-yl)tetrahydro-2H-pyran-3-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(13α,14β,17α,20S,23R,24S)-21,24-Epoxy-23,25-Dihydroxy-5α-Lanost-7-En-3-One; Bourjotinolone A; Bourjotilone A; (13Alpha,14Beta,17Alpha,20S,23R,24S)-21,24-Epoxy-23,25-Dihydroxylanost-7-En-3-One; Lanost-7-En-3-One, 21,24-Epoxy-23,25-Dihydroxy-, (13α,14β,17α,20S,23R,24S)-; 21,24R-Epoxy-23R,25-Dihydroxytirucall-7-En-3-One
• CAS编号6985-35-9
• MFCD编号:MFCD20260861
• 分子式:C30H48O4分子量:472.71
• 产品CID: 1693574
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: RNETYSXHFSDFMM-VRUJEOEASA-N
• InChI=1S/C30H48O4/c1-26(2)23-9-8-21-20(28(23,5)13-12-24(26)32)11-15-29(6)19(10-14-30(21,29)7)18-16-22(31)25(34-17-18)27(3,4)33/h8,18-20,22-23,25,31,33H,9-17H2,1-7H3/t18-,
• 计算化学: 氢键受体数4.0氢键供体数2.0可旋转键数2.0

物理性质

• 熔点176 °C
• 沸点583.1±50.0 °C(预测)
• 闪点182.2±23.6 °C
• 密度1.12±0.1 g/cm3(预测)
• pKa:14.39±0.60(预测)
• PSA:66.76
• LogP:5.6976
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末

MSDS等安全信息

• 危险描述H303 May be harmful if swallowed+H313 Skin contact may be harmful+H333 Inhalation 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