CAS: 104021-39-8; (3As,4R,5As,6S,9Ar,9Bs)-6-Hydroxy-5A,9-Dimethyl-3-Methylene-2-Oxo-2,3,3A,4,5,5A,6,7,9A,9B-Decahydronaphtho[1,2-B]Furan-4-Yl Methacrylate

• 英文名称(3As,4R,5As,6S,9Ar,9Bs)-6-Hydroxy-5A,9-Dimethyl-3-Methylene-2-Oxo-2,3,3A,4,5,5A,6,7,9A,9B-Decahydronaphtho[1,2-B]Furan-4-Yl Methacrylate
• 中文名称8α-甲基丙烯酰氧基巴尔喀蒿烯内酯
• IUPAC名称(3aS,4R,5aS,6S,9aR,9bS)-6-hydroxy-5a,9-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,5a,6,7,9a,9b-decahydronaphtho[1,2-b]furan-4-yl methacrylate
• 其它别名8α-Methacryloyloxybalchanin; 8Alpha-Methacryloyloxybalchanin; 2-Propenoic Acid, 2-Methyl-, 2,3,3A,4,5,5A,6,7,9A,9B-Decahydro-6-Hydroxy-5A,9-Dimethyl-3-Methylene-2-Oxonaphtho[1,2-B]Furan-4-Yl Ester, [3Ar-(3Aα,4α,5Aβ,6β,9Aα,9Bβ)]- (9Ci); Naphtho[12-B]Furan2-Propenoicacidderiv./8Alpha-Methacryloyloxybalchanin
• CAS编号104021-39-8
• MFCD编号:MFCD23103629
• 分子式:C19H24O5分子量:332.4
• 产品CID: 77506
• 产品分类天然产物 → 倍半萜

• 相似结构搜索
• InChIKey: HMSQLCOJKRNFGH-ZVPPKLDTSA-N
• InChI=1S/C19H24O5/c1-9(2)17(21)23-12-8-19(5)13(20)7-6-10(3)15(19)16-14(12)11(4)18(22)24-16/h6,12-16,20H,1,4,7-8H2,2-3,5H3/t12-,13+,14+,15+,16-,19-/m1/s1
• 计算化学: 氢键受体数5.0氢键供体数1.0可旋转键数3.0

物理性质

• 沸点488.9±45.0 °C(预测)
• 密度1.20±0.1 g/cm3(预测)
• pKa:14.21±0.70(预测)
• PSA:72.83
• LogP:2.3092

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
  2905399001-1,3-丙二醇
  2905399002-1,4-丁二醇
  2905141000-异丁醇
  2905142000-仲丁醇
• 💡 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