28374-71-2 ((Adlupulone)

CAS号:
28374-71-2
英文名称:
Adlupulone
分子式:
C26H38O4
分子量:
414.577528476715

Adlupulone(28374-71-2)名称与标识符

名称

英文别名:
4-Cyclohexene-1,3-dione,5-hydroxy-2,2,6-tris(3-methyl-2-buten-1-yl)-4-(2-methyl-1-oxobutyl)-;4-Cyclohexene-1,3-dione,5-hydroxy-2,2,6-tris(3-methyl-2-butenyl)-4-(2-methyl-1-oxobutyl)- (9CI);4-Cyclohexene-1,3-dione,5-hydroxy-2,2,6-tris(3-methyl-2-butenyl)-4-(2-methylbutyryl)- (8CI);Adlupulone(6CI,7CI);ADLUPULONE;O2S4D7K08Y;Q27894794;3,5-Dihydroxy-4,4,6-tris(3-methyl-2-butenyl)-2-(2-methylbutyryl)-2,5-cyclohexadien-1-one;2,4-Cyclohexadien-1-one, 3,5-dihydroxy-4,6,6-tris(3-methyl-2-buten-1-yl)-2-(2-methyl-1-oxobutyl)-;3,5-dihydroxy-2-(2-methylbutanoyl)-4,6,6-tris(3-methylbut-2-en-1-yl)cyclohexa-2,4-dien-1-one;4-Cyclohexene-1,3-dione, 5-hydroxy-2,2,6-tris(3-methyl-2-buten-1-yl)-4-(2-methyl-1-oxobutyl)-;

标识符

InChIKey:
QXPOWGXRDUFAQW-UHFFFAOYSA-N
Inchi:
1S/C26H38O4/c1-9-19(8)22(27)21-23(28)20(11-10-16(2)3)24(29)26(25(21)30,14-12-17(4)5)15-13-18(6)7/h10,12-13,19,28-29H,9,11,14-15H2,1-8H3
SMILES:
OC1=C(C/C=C(\C)/C)C(=C(C(C(C)CC)=O)C(C1(C/C=C(\C)/C)C/C=C(\C)/C)=O)O

Adlupulone(28374-71-2)物化性质

计算特性

  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 9
  • 重原子数量 : 30
  • 复杂度 : 814
  • 拓扑分子极性表面积 : 74.6

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