143183-63-5 (加贯叶金丝桃素,Bicyclo[3.3.1]non-3-ene-2,9-dione,4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-penten-1-yl)-,(1R,5S,6R,7S)-)

CAS号:
143183-63-5
中文名称:
加贯叶金丝桃素
英文名称:
Bicyclo[3.3.1]non-3-ene-2,9-dione,4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-penten-1-yl)-,(1R,5S,6R,7S)-
分子式:
C36H54O4
分子量:
550.811571598053

加贯叶金丝桃素(143183-63-5)名称与标识符

名称

中文别名:
加贯叶金丝桃素;
英文别名:
Bicyclo[3.3.1]non-3-ene-2,9-dione,4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-penten-1-yl)-,(1R,5S,6R,7S)-;2-hydroxy-6-methyl-5-(2-methylbutanoyl)-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]non-2-ene-4,9-dione;Bicyclo[3.3.1]non-3-ene-2,9-dione,4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-me...;Bicyclo[3.3.1]non-3-ene-2,9-dione,4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-;adhyperforin;(1R,5S,6R,7S)-4-Hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-penten-1-yl)-bicyclo[3.3.1]non-3-ene-2,9-dione;143183-63-5;DTXSID70433341;Q4682573;CHEBI:177559;4-Hydroxy-8-methyl-1-(2-methylbutanoyl)-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-ene-2,9-dione;NS00094786;(1R,5S,6R,7S)-4-Hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-penten-1-yl)bicyclo(3.3.1)non-3-ene-2,9-dione;Bicyclo(3.3.1)non-3-ene-2,9-dione, 4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-butenyl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-pentenyl)-, (1R-(1alpha,5alpha,6beta,7alpha))-;EC9K3C78V8;UNII-EC9K3C78V8;SCHEMBL878771;Bicyclo(3.3.1)non-3-ene-2,9-dione, 4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-penten-1-yl)-, (1R,5S,6R,7S)-;CHEMBL536352;CHEMBL3581583;BDBM50193394;BICYCLO(3.3.1)NON-3-ENE-2,9-DIONE, 4-HYDROXY-6-METHYL-1,3,7-TRIS(3-METHYL-2-BUTENYL)-5-(2-METHYL-1-OXOBUTYL)-6-(4-METHYL-3-PENTENYL)-, (1R-(1.ALPHA.,5.ALPHA.,6.BETA.,7.ALPHA.))-;

标识符

InChIKey:
MGKCAFQXBAFOSW-UHFFFAOYSA-N
Inchi:
1S/C36H54O4/c1-12-27(10)30(37)36-32(39)29(18-16-25(6)7)31(38)35(33(36)40,21-19-26(8)9)22-28(17-15-24(4)5)34(36,11)20-13-14-23(2)3/h14-16,19,27-28,38H,12-13,17-18,20-22H2,1-11H3
SMILES:
O=C1C2(C/C=C(/C)\C)C(=C(C/C=C(\C)/C)C(C1(C(C(C)CC)=O)C(C)(CC/C=C(\C)/C)C(C/C=C(\C)/C)C2)=O)O

加贯叶金丝桃素(143183-63-5)物化性质

实验特性

  • LogP : 9.37980
  • PSA : 71.44000
  • 溶解度 : Insuluble (5.0E-6 g/L) (25 ºC),
  • 密度 : 1.005±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 550.40200
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 12
  • 同位素质量 : 550.40221020g/mol
  • 重原子数量 : 40
  • 复杂度 : 1160
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 5
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 10
  • 拓扑分子极性表面积 : 71.4Ų

加贯叶金丝桃素(143183-63-5)推荐厂家 更多厂家(1)

公司名称手机号/电话联系人QQ微信询单
金锦乐(湖南)化学有限公司 金锦乐 1226360695
询单