CAS: 1011762-93-8; (6As,7Ar,11Ar,11Bs,13R,13As)-6A-Hydroxy-1,1,11A-Trimethyl-9-((R)-1-((R)-5-Methyl-6-Oxo-3,6-Dihydro-2H-Pyran-2-yl)Ethyl)-8-Methylene-3-Oxo-1,3,6A,7,7A,8,11,11A,11B,12,13,13A-Dodecahydrobenzo[1,2]Azuleno[6,5-C]Oxepin-13-Yl Acetate

• 英文名称(6As,7Ar,11Ar,11Bs,13R,13As)-6A-Hydroxy-1,1,11A-Trimethyl-9-((R)-1-((R)-5-Methyl-6-Oxo-3,6-Dihydro-2H-Pyran-2-yl)Ethyl)-8-Methylene-3-Oxo-1,3,6A,7,7A,8,11,11A,11B,12,13,13A-Dodecahydrobenzo[1,2]Azuleno[6,5-C]Oxepin-13-Yl Acetate
• 中文名称(6AS,7AR,11AR,11BS,13R,13AS)-6A-羟基-1,1,11A-三甲基-9-((R)-1-((R)-5-甲基-6-氧代-3,6-二氢-2H-吡喃-2-基)乙基)-8-亚甲基-3-氧代-1,3,6A,7,7A,8,11,11A,11B,12,13,13A-DO十氢苯并[1,2]薁NO[6,5-C]奥洛他定杂质N-13-YL乙酸酯
• IUPAC名称(6aS,7aR,11aR,11bS,13R,13aS)-6a-hydroxy-1,1,11a-trimethyl-9-((R)-1-((R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-8-methylene-3-oxo-1,3,6a,7,7a,8,11,11a,11b,12,13,13a-dodecahydrobenzo[1,2]azuleno[6,5-c]oxepin-13-yl acetate
• 其它别名Longipedlactone J; 6Beta-Acetyloxylongipedlactone A; 6-O-Acetyllongipedlactone F; Benz[1,2]Azuleno[6,5-C]Oxepin-3(1H)-One, 13-(Acetyloxy)-9-[(1R)-1-[(2R)-3,6-Dihydro-5-Methyl-6-Oxo-2H-Pyran-2-Yl]Ethyl]-6A,7,7A,8,11,11A,11B,12,13,13A-Decahydro-6A-Hydroxy-1,1,11A-Trimethyl-8-Methylene-, (6As,7Ar,11As,11Bs,13R,13As)-Rel-(-)-
• CAS编号1011762-93-8
• MFCD编号:MFCD28100668
• 分子式:C32H40O7分子量:536.66
• 产品CID: 24280

• 相似结构搜索
• InChIKey: VPYOIPWGVNGDBV-XVLJLTBWSA-N
• InChI=1S/C32H40O7/c1-17-8-10-24(38-29(17)35)19(3)22-12-13-31(7)23(18(22)2)16-32(36)15-21-9-11-27(34)39-30(5,6)28(21)25(14-26(31)32)37-20(4)33/h8-9,11-12,15,19,23-26,28,36
• 计算化学: 氢键受体数7.0氢键供体数1.0可旋转键数4.0

物理性质

• 沸点713.4±60.0 °C(预测)
• 闪点228.5±26.4 °C
• 密度1.23±0.1 g/cm3(预测)
• pKa:13.28±0.70(预测)
• PSA:99.13
• LogP:4.9137

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
  2905399001-1,3-丙二醇
  2905399002-1,4-丁二醇
  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