CAS: 56218-46-3; Methyl (3S,4R,4Ar,6As,9Ar,11R,13Ar,13Bs,15As,15Br)-3,11-Dihydroxy-4,6A,10,10,13A,15B-Hexamethyl-2,3,4,4A,5,6,6A,7,9,9A,10,11,12,13,13A,13B,14,15,15A,15B-Icosahydro-1H-Cyclohepta[1,2-A:5,4-A']Dinaphthalene-4-Carboxylate

• 英文名称Methyl (3S,4R,4Ar,6As,9Ar,11R,13Ar,13Bs,15As,15Br)-3,11-Dihydroxy-4,6A,10,10,13A,15B-Hexamethyl-2,3,4,4A,5,6,6A,7,9,9A,10,11,12,13,13A,13B,14,15,15A,15B-Icosahydro-1H-Cyclohepta[1,2-A:5,4-A']Dinaphthalene-4-Carboxylate
• 中文名称甲基(3S,4R,4AR,6AS,9AR,11R,13AR,13BS,15AS,15BR)-3,11-二羟基-4,6A,10,10,13A,15B-六甲基-2,3,4,4A,5,6,6A,7,9,9A,10,11,12,13,13A,13B,14,15,15A,15B-二十羟基-1H-环庚[1,2-A:5,4-A']DI萘-4-羧酸甲酯
• IUPAC名称methyl (3S,4R,4aR,6aS,9aR,11R,13aR,13bS,15aS,15bR)-3,11-dihydroxy-4,6a,10,10,13a,15b-hexamethyl-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-cyclohepta[1,2-a:5,4-a']dinaphthalene-4-carboxylate
• 其它别名Methyl Lycernuate A; C(14A)-Homo-27-Norgammacer-14-En-23-Oic Acid, 3,21-Dihydroxy-, Methyl Ester, (3β,4β,21β)- (9Ci)
• CAS编号56218-46-3
• MFCD编号:MFCD20260740
• 分子式:C31H50O4分子量:486.74
• 产品CID: 1534962
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: YJCLBMDGUOAHFA-BUWPLOKVSA-N
• InChI=1S/C31H50O4/c1-27(2)21-10-8-19-18-28(3)15-12-23-30(5,17-14-25(33)31(23,6)26(34)35-7)22(28)11-9-20(19)29(21,4)16-13-24(27)32/h8,20-25,32-33H,9-18H2,1-7H3/t20-,21-,22
• 计算化学: 氢键受体数4.0氢键供体数2.0可旋转键数2.0

物理性质

• 沸点565.7±50.0 °C(预测)
• 闪点172.7±23.6 °C
• 密度1.11±0.1 g/cm3(预测)
• pKa:14.48±0.70(预测)
• PSA:66.76
• LogP:6.2928

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

上下游产品

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
  2905399001-1,3-丙二醇
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• 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