99305-06-3 (4H-6a,8-表二氧基环氧并[1,2]azuleno[4,5-b]呋喃-2(3H)-酮,4-(乙酰氧基)八氢-6-氢过氧基-6,8-二甲基-3-亚甲基-,[3aR-(3aα,4α,6α,6aα,6bα,7aα,8α,8aα,8bβ)]-(9CI),4H-6a,8-Epidioxyoxireno[1,2]azuleno[4,5-b]furan-2(3H)-one, 4-(acetyloxy)octahydro-6-hydroperoxy-6,8-dimethyl-3-methylene-, [3aR-(3aα,4α,6α,6aα,6bα,7aα,8α,8aα,8bβ)]- (9CI))

CAS号:
99305-06-3
中文名称:
4H-6a,8-表二氧基环氧并[1,2]azuleno[4,5-b]呋喃-2(3H)-酮,4-(乙酰氧基)八氢-6-氢过氧基-6,8-二甲基-3-亚甲基-,[3aR-(3aα,4α,6α,6aα,6bα,7aα,8α,8aα,8bβ)]-(9CI)
英文名称:
4H-6a,8-Epidioxyoxireno[1,2]azuleno[4,5-b]furan-2(3H)-one, 4-(acetyloxy)octahydro-6-hydroperoxy-6,8-dimethyl-3-methylene-, [3aR-(3aα,4α,6α,6aα,6bα,7aα,8α,8aα,8bβ)]- (9CI)
分子式:
C17H20O9
分子量:
368.335306167603

4H-6a,8-表二氧基环氧并[1,2]azuleno[4,5-b]呋喃-2(3H)-酮,4-(乙酰氧基)八氢-6-氢过氧基-6,8-二甲基-3-亚甲基-,[3aR-(3aα,4α,6α,6aα,6bα,7aα,8α,8aα,8bβ)]-(9CI)(99305-06-3)名称与标识符

名称

英文别名:
4H-6a,8-Epidioxyoxireno[1,2]azuleno[4,5-b]furan-2(3H)-one, 4-(acetyloxy)octahydro-6-hydroperoxy-6,8-dimethyl-3-methylene-, [3aR-(3aα,4α,6α,6aα,6bα,7aα,8α,8aα,8bβ)]- (9CI);

标识符

InChIKey:
QJHFOKZMJATJSJ-RZUNIOFXSA-N
Inchi:
1S/C17H20O9/c1-6-9-8(21-7(2)18)5-15(3,24-20)17-11(10(9)22-14(6)19)16(4,25-26-17)12-13(17)23-12/h8-13,20H,1,5H2,2-4H3/t8-,9+,10-,11-,12+,13-,15+,16-,17+/m0/s1
SMILES:
[C@@H]12O[C@@H]1[C@]13OO[C@@]2(C)[C@@H]1[C@H]1OC(C([C@@H]1[C@@H](OC(C)=O)C[C@@]3(C)OO)=C)=O

4H-6a,8-表二氧基环氧并[1,2]azuleno[4,5-b]呋喃-2(3H)-酮,4-(乙酰氧基)八氢-6-氢过氧基-6,8-二甲基-3-亚甲基-,[3aR-(3aα,4α,6α,6aα,6bα,7aα,8α,8aα,8bβ)]-(9CI)(99305-06-3)物化性质

计算特性

  • 氢键供体数量 : 1
  • 氢键受体数量 : 9
  • 重原子数量 : 26
  • 疏水参数计算参考值(XlogP) : 0.159