CAS: 1432063-63-2; 8'-(2-Hydroxypropan-2-yl)-6A'-Methyl-3'-Oxohexahydrospiro[oxirane-2,7'-[2,5]Methanooxireno[2',3':3,4]Cyclopenta[1,2-D]Oxepine]-1B'(5'H)-Yl Acetate

• 英文名称8'-(2-Hydroxypropan-2-yl)-6A'-Methyl-3'-Oxohexahydrospiro[oxirane-2,7'-[2,5]Methanooxireno[2',3':3,4]Cyclopenta[1,2-D]Oxepine]-1B'(5'H)-Yl Acetate
• 中文名称(1aR,1bS,2R,2'S,5S,6aS,7aS,8R)-rel-1b-(乙酰氧基)六氢-8-(1-羟基-1-甲基乙基)-6a-甲基螺[2,5-甲桥-7H-环氧乙烯并[3,4]环戊二烯并[1,2-d]氧杂卓-7,2'-环氧乙烷]-3(2H)-酮
• IUPAC名称8'-(2-hydroxypropan-2-yl)-6a'-methyl-3'-oxohexahydrospiro[oxirane-2,7'-[2,5]methanooxireno[2',3':3,4]cyclopenta[1,2-d]oxepine]-1b'(5'H)-yl acetate
• 其它别名6-O-Acetylcoriatin; (1Ar,1Bs,2R,2'S,5S,6As,7As,8R)-Rel-1B-(Acetyloxy)Hexahydro-8-(1-Hydroxy-1-Methylethyl)-6A-Methylspiro[2,5-Methano-7H-Oxireno[3,4]Cyclopent[1,2-D]Oxepin-7,2'-Oxiran]-3(2H)-One; Spiro[2,5-Methano-7H-Oxireno[3,4]Cyclopent[1,2-D]Oxepin-7,2'-Oxiran]-3(2H)-One, 1B-(Acetyloxy)Hexahydro-8-(1-Hydroxy-1-Methylethyl)-6A-Methyl-, (1Ar,1Bs,2R,2'S,5S,6As,7As,8R)-Rel-
• CAS编号1432063-63-2
• MFCD编号:MFCD20274923
• 分子式:C17H22O7分子量:338.36
• 产品CID: 660824

• 相似结构搜索
• InChIKey: RCDCUCSJAPPGHK-UHFFFAOYSA-N
• InChI=1S/C17H22O7/c1-7(18)24-17-10-9(14(2,3)20)8(22-13(10)19)5-15(17,4)16(6-21-16)11-12(17)23-11/h8-12,20H,5-6H2,1-4H3
• 计算化学: 氢键受体数7.0氢键供体数1.0可旋转键数3.0

物理性质

• 沸点504.7±50.0 °C(预测)
• 闪点185.0±23.6 °C
• 密度1.43±0.1 g/cm3(预测)
• pKa:14.54±0.29(预测)
• PSA:97.89
• LogP:0.177

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

• 2905122000-异丙醇
  2905143000-叔丁醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
• 💡 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