CAS: 81264-00-8; (4R,4As,5R,6As,9S,11Ar,11Br)-5,11A-Dihydroxy-4,11B-Dimethyl-8-Methylene-7-Oxotetradecahydro-6A,9-Methanocyclohepta[a]Naphthalene-4-Carboxylic Acid

• 英文名称(4R,4As,5R,6As,9S,11Ar,11Br)-5,11A-Dihydroxy-4,11B-Dimethyl-8-Methylene-7-Oxotetradecahydro-6A,9-Methanocyclohepta[a]Naphthalene-4-Carboxylic Acid
• 中文名称等效-6,9-二羟基-15-氧代-16-贝壳杉烯-19-酸
• IUPAC名称(4R,4aS,5R,6aS,9S,11aR,11bR)-5,11a-dihydroxy-4,11b-dimethyl-8-methylene-7-oxotetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid
• 其它别名Ent-6,9-Dihydroxy-15-Oxo-16-Kauren-19-Oic Acid; Ent-6α,9α-Dihydroxy-15-Oxokaur-16-En-19-Oic Acid; Ent-6Alpha,9Alpha-Dihydroxy-15-Oxokaur-16-En-19-Oic Acid; Kaur-16-En-18-Oic Acid, 6,9-Dihydroxy-15-Oxo-, (4α,6β)- (9Ci); Ent-6α,9α-Dihydroxy-15-Oxokaur-16-En-19-Oic Acid; (5β,6β,8α,9β,10α,13α)-6,9-Dihydroxy-15-Oxokaur-16-En-18-Oicaci; 9α-Dihydroxy-15-Oxokaur-16-En-19-Oic Acid; Ent-6α
• CAS编号81264-00-8
• MFCD编号:MFCD26131258
• 分子式:C20H28O5分子量:348.44
• 产品CID: 1806624
• 产品分类天然产物 → 萜类

• 相似结构搜索
• 产品信息参考;;
• InChIKey: UTVJJCFYCUPKOU-OHBBHMHRSA-N
• InChI=1S/C20H28O5/c1-11-12-5-8-20(25)18(3)7-4-6-17(2,16(23)24)14(18)13(21)10-19(20,9-12)15(11)22/h12-14,21,25H,1,4-10H2,2-3H3,(H,23,24)/t12-,13+,14+,17+,18+,19+,20+/m0/s1
• 计算化学: 氢键受体数5.0氢键供体数3.0可旋转键数1.0

物理性质

• 沸点539.0±50.0 °C at 760 mmHg
• 闪点293.8±26.6 °C
• 密度1.3±0.1 g/cm3
• pKa:4.42±0.70(预测)
• PSA:94.83
• LogP:1.97
• 折射率1.585
• 蒸汽压0.0±3.3 mmHg at 25°C
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末
• 储存条件2-8°C，干燥环境，密闭

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

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海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2905143000-叔丁醇
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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