CAS: 771493-42-6; (4As,5R,6S,8R,8As)-8-Hydroxy-5,6,8A-Trimethyl-5-(2-(2-Oxo-2,5-Dihydrofuran-3-yl)Ethyl)-3,4,4A,5,6,7,8,8A-Octahydronaphthalene-1-Carboxylic Acid

• 英文名称(4As,5R,6S,8R,8As)-8-Hydroxy-5,6,8A-Trimethyl-5-(2-(2-Oxo-2,5-Dihydrofuran-3-yl)Ethyl)-3,4,4A,5,6,7,8,8A-Octahydronaphthalene-1-Carboxylic Acid
• 中文名称(-)-6β-羟基-5β,8β,9β,10α-克罗-3,13-二烯-16,15-内酯-18-酸
• IUPAC名称(4aS,5R,6S,8R,8aS)-8-hydroxy-5,6,8a-trimethyl-5-(2-(2-oxo-2,5-dihydrofuran-3-yl)ethyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid
• 其它别名(-)-6Beta-Hydroxy-5Beta,8Beta,9Beta,10Alpha-Cleroda-3,13-Dien-16,15-Olid-18-Oic Acid; 6α-Hydroxycleroda-3,13-Dien-16,15-Olid-18-Oic Acid; 6Alpha-Hydroxycleroda-3,13-Dien-16,15-Olid-18-Oic Acid; 6α-Hydroxycleroda-3,13-Dien-16; 1-Naphthalenecarboxylic Acid, 5-[2-(2,5-Dihydro-2-Oxo-3-Furanyl)Ethyl]-3,4,4A,5,6,7,8,8A-Octahydro-8-Hydroxy-5,6,8A-Trimethyl-, (4As,5R,6S,8R,8As)-; 6α-Hydroxycleroda-3,13-Dien-16,15-Olid-18-Oic Acid; 13-Dien-16; 15-Olid-18-Oic Acid
• CAS编号771493-42-6
• MFCD编号:MFCD28385951
• 分子式:C20H28O5分子量:348.44
• 产品CID: 1763902
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: VIZZFMPBFLWOFS-JUNANHINSA-N
• InChI=1S/C20H28O5/c1-12-11-16(21)20(3)14(17(22)23)5-4-6-15(20)19(12,2)9-7-13-8-10-25-18(13)24/h5,8,12,15-16,21H,4,6-7,9-11H2,1-3H3,(H,22,23)/t12-,15-,16+,19+,20+/m0/s1
• 计算化学: 氢键受体数5.0氢键供体数2.0可旋转键数4.0

物理性质

• 沸点549.8±35.0 °C at 760 mmHg
• 闪点193.4±19.4 °C
• 密度1.2±0.1 g/cm3
• pKa:4.71±0.70(预测)
• PSA:83.83
• LogP:2.81
• 折射率1.544
• 蒸汽压0.0±3.4 mmHg at 25°C
• 外观形态粉末
• 储存条件室温
• 产品应用该化合物是Α-GLUCOSIDASE抑制剂,IC50值为577.7微米.

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
• 危险品标志Xi
• 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
  2905399002-1,4-丁二醇
• 💡 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