CAS: 280565-85-7; (4S,4As,5R,7R,10S,11S,12Z,14Z,17As,18S,20R,20As,21S,21Ar,22As,23S,23Ar,24R,25R,27S)-4A,5,20A,21-Tetrahydroxy-21A-(Hydroxymethyl)-5,18,24,27-Tetramethyl-16-Oxo-2-Phenyl-4,4A,5,6,7,8,9,10,11,16,17A,18,19,20,20A,21,21A,22A,23,23A-Icosahydro-2,20,23,4-(Epoxyethane[1,1,1,2]Tetrayl)-7,10-Methanocyclopenta[b][1,3]Dioxino[4,5-H]Oxireno[2,3-E][1]Oxacyclohenicosin-11-Yl 3-Methylbutanoate

• 英文名称(4S,4As,5R,7R,10S,11S,12Z,14Z,17As,18S,20R,20As,21S,21Ar,22As,23S,23Ar,24R,25R,27S)-4A,5,20A,21-Tetrahydroxy-21A-(Hydroxymethyl)-5,18,24,27-Tetramethyl-16-Oxo-2-Phenyl-4,4A,5,6,7,8,9,10,11,16,17A,18,19,20,20A,21,21A,22A,23,23A-Icosahydro-2,20,23,4-(Epoxyethane[1,1,1,2]Tetrayl)-7,10-Methanocyclopenta[b][1,3]Dioxino[4,5-H]Oxireno[2,3-E][1]Oxacyclohenicosin-11-Yl 3-Methylbutanoate
• IUPAC名称(4S,4aS,5R,7R,10S,11S,12Z,14Z,17aS,18S,20R,20aS,21S,21aR,22aS,23S,23aR,24R,25R,27S)-4a,5,20a,21-tetrahydroxy-21a-(hydroxymethyl)-5,18,24,27-tetramethyl-16-oxo-2-phenyl-4,4a,5,6,7,8,9,10,11,16,17a,18,19,20,20a,21,21a,22a,23,23a-icosahydro-2,20,23,4-(epoxyethane[1,1,1,2]tetrayl)-7,10-methanocyclopenta[b][1,3]dioxino[4,5-h]oxireno[2,3-e][1]oxacyclohenicosin-11-yl 3-methylbutanoate
• 其它别名Rediocide A; Butanoic Acid, 3-Methyl-, (2S,4S,4As,5R,7R,10S,11R,12Z,14E,17As,18S,20R,20As,21S,21Ar,22As,23S,23Ar,24R,26S,27R)-4,4A,5,6,7,8,9,10,11,16,17A,18,19,20,20A,21,21A,22A,23,23A-Eicosahydro-4A,5,20A,21-Tetrahydroxy-21A-(Hydroxymethyl)-5,18,26,27-Tetramethyl-16-Oxo-2-Phenyl-4,24-Methano-2,20,23-(Epoxymethe...
• CAS编号280565-85-7
• MFCD编号:MFCD20260932
• 分子式:C44H58O13分子量:794.93
• 产品CID: 1260574
• 产品分类天然产物 → 萜类

• 相似结构搜索
• 产品信息参考
• InChIKey: ZAVYYYQORHVVFN-ZNOUPOQTSA-N
• InChI=1S/C44H58O13/c1-22(2)18-32(47)52-29-14-10-11-15-31(46)53-34-23(3)19-30-41(34,50)38(48)40(21-45)36(54-40)33-37-43(51,39(6,49)20-26-16-17-28(29)24(26)4)35-25(5)42(30,
• 计算化学: 氢键受体数13.0氢键供体数5.0可旋转键数6.0

物理性质

• 熔点>230 °C
• 沸点230 °C>>230 °C
• 密度1.39±0.1 g/cm3(预测)
• pKa:12.10±0.70(预测)
• PSA:193.97
• LogP:3.0375

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
  2901241000-1,3-丁二烯
  2902300000-甲苯
• 💡 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