61490-63-9 (5H-4a,7-乙醇-4H-环庚[1,2-b:4,5-c’]二呋喃-2,11(3H)-二酮,六氢-8-甲基-3-亚甲基-,(3aR,4aS,7R,7aS,8R,9aR)-(9CI),5H-4a,7-Ethano-4H-cyclohepta[1,2-b:4,5-c']difuran-2,11(3H)-dione,hexahydro-8-methyl-3-methylene-, (3aR,4aS,7R,7aS,8R,9aR)- (9CI))

CAS号:
61490-63-9
中文名称:
5H-4a,7-乙醇-4H-环庚[1,2-b:4,5-c’]二呋喃-2,11(3H)-二酮,六氢-8-甲基-3-亚甲基-,(3aR,4aS,7R,7aS,8R,9aR)-(9CI)
英文名称:
5H-4a,7-Ethano-4H-cyclohepta[1,2-b:4,5-c']difuran-2,11(3H)-dione,hexahydro-8-methyl-3-methylene-, (3aR,4aS,7R,7aS,8R,9aR)- (9CI)
分子式:
C15H18O4
分子量:
262.301024913788

5H-4a,7-乙醇-4H-环庚[1,2-b:4,5-c’]二呋喃-2,11(3H)-二酮,六氢-8-甲基-3-亚甲基-,(3aR,4aS,7R,7aS,8R,9aR)-(9CI)(61490-63-9)名称与标识符

名称

英文别名:
5H-4a,7-Ethano-4H-cyclohepta[1,2-b:4,5-c']difuran-2,11(3H)-dione,hexahydro-8-methyl-3-methylene-, (3aR,4aS,7R,7aS,8R,9aR)- (9CI);5H-4a,7-Ethano-4H-cyclohepta[1,2-b:4,5-c']difuran-2,11(3H)-dione,hexahydro-8-methyl-3-methylene-, (3aR,4aS,7R,7aS,8R,9aR)- (9;microhelenins;DTXSID30977059;C09508;8-methyl-3-methylidenehexahydro-4h-7,4a-(epoxymethano)azuleno[6,5-b]furan-2,5(3h,3ah)-dione;CHEBI:6926;Q27107362;(1S,3R,7R,9R,10S,11R)-9-Methyl-4-methylidene-6,12-dioxatetracyclo[9.2.2.01,10.03,7]pentadecane-5,14-dione;Microhelenin A;Microhelenin D;5H-4a,7-Ethano-4H-cyclohepta(1,2-b:4,5-c')difuran-2,11(3H)-dione, hexahydro-8-methyl-3-methylene-, (3aR-(3aalpha,4aalpha,7alpha,7aalpha,8alpha,9aalpha))-;61490-63-9;5H-4a,7-Ethano-4H-cyclohepta(1,2-b:4,5-c')difuran-2,11(3H)-dione, hexahydro-8-methyl-3-methylene-, (3aR,4aS,7R,7aS,8R,9aR)-;9-methyl-4-methylidene-6,12-dioxatetracyclo[9.2.2.01,10.03,7]pentadecane-5,14-dione;

标识符

InChIKey:
UAYKGHBWLFRCCG-CBPBZNKLSA-N
Inchi:
1S/C15H18O4/c1-7-3-10-9(8(2)14(17)19-10)5-15-6-18-11(13(7)15)4-12(15)16/h7,9-11,13H,2-6H2,1H3/t7-,9-,10-,11-,13-,15+/m1/s1
SMILES:
O1C[C@@]23C(C[C@@H]1[C@H]2[C@H](C)C[C@@H]1[C@@H](C(=C)C(=O)O1)C3)=O

5H-4a,7-乙醇-4H-环庚[1,2-b:4,5-c’]二呋喃-2,11(3H)-二酮,六氢-8-甲基-3-亚甲基-,(3aR,4aS,7R,7aS,8R,9aR)-(9CI)(61490-63-9)物化性质

实验特性

  • 折射率 : 1.558
  • 沸点 : 465.2°C at 760 mmHg
  • 闪点 : 209.8°C
  • 密度 : 1.27

计算特性

  • 精确分子量 : 262.12050905g/mol
  • 氢键供体数量 : 0
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 0
  • 同位素质量 : 262.12050905g/mol
  • 重原子数量 : 19
  • 复杂度 : 496
  • 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 : 6
  • 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) : 1.2
  • 拓扑分子极性表面积 : 52.6Ų