38096-48-9 (环氧并[9,10]环癸并[1,2-b]呋喃-5-羧酸,6-(乙酰氧基)-1a,2,3,6,7,7a,8,9,10a,10b-十氢-1a-甲基-8-亚甲基-7-[(2-甲基-1-氧代-2-丙烯-1-基)氧基]-9-氧代-甲酯,(1aR,4Z,6S,7S,7aR,10aS,10bR)-,Oxireno[9,10]cyclodeca[1,2-b]furan-5-carboxylic acid, 6-(acetyloxy)-1a,2,3,6,7,7a,8,9,10a,10b-decahydro-1a-methyl-8-methylene-7-[(2-methyl-1-oxo-2-propen-1-yl)oxy]-9-oxo-, methyl ester, (1aR,4Z,6S,7S,7aR,10aS,10bR)-)

CAS号:
38096-48-9
中文名称:
环氧并[9,10]环癸并[1,2-b]呋喃-5-羧酸,6-(乙酰氧基)-1a,2,3,6,7,7a,8,9,10a,10b-十氢-1a-甲基-8-亚甲基-7-[(2-甲基-1-氧代-2-丙烯-1-基)氧基]-9-氧代-甲酯,(1aR,4Z,6S,7S,7aR,10aS,10bR)-
英文名称:
Oxireno[9,10]cyclodeca[1,2-b]furan-5-carboxylic acid, 6-(acetyloxy)-1a,2,3,6,7,7a,8,9,10a,10b-decahydro-1a-methyl-8-methylene-7-[(2-methyl-1-oxo-2-propen-1-yl)oxy]-9-oxo-, methyl ester, (1aR,4Z,6S,7S,7aR,10aS,10bR)-
分子式:
C22H26O9
分子量:
434.436447620392
植物源:

环氧并[9,10]环癸并[1,2-b]呋喃-5-羧酸,6-(乙酰氧基)-1a,2,3,6,7,7a,8,9,10a,10b-十氢-1a-甲基-8-亚甲基-7-[(2-甲基-1-氧代-2-丙烯-1-基)氧基]-9-氧代-甲酯,(1aR,4Z,6S,7S,7aR,10aS,10bR)-(38096-48-9)名称与标识符

名称

英文别名:
Oxireno[9,10]cyclodeca[1,2-b]furan-5-carboxylicacid, 6-(acetyloxy)-1a,2,3,6,7,7a,8,9,10a,10b-decahydro-1a-methyl-8-methylene-7-[(2-methyl-1-oxo-2-propenyl)oxy]-9-oxo-,methyl ester, (1aR,4Z,6S,7S,7aR,10aS,10bR)- (9CI);Oxireno[9,10]cyclodeca[1,2-b]furan-5-carboxylicacid, 6-(acetyloxy)-1a,2,3,6,7,7a,8,9,10a,10b-decahydro-1a-methyl-8-methylene-7-[(2-methyl-1-oxo-2-propenyl)oxy]-9-oxo-,methyl ester, (1aR,4Z,6S,7S,7aR,1;Fluctuadin;Oxireno[9,10]cyclodeca[1,2-b]furan-5-carboxylicacid, 6-(acetyloxy)-1a,2,3,6,7,7a,8,9,10a,10b-decahydro-1a-methyl-8-methylene-7-[(2-methyl-1-oxo-2-propenyl)oxy]-9-oxo-,methyl ester, [1aR-(1aR*,4Z,6S*,7S*,7aR*,10aS*,10bR*)]-;CID 101915963;Oxireno[9,10]cyclodeca[1,2-b]furan-5-carboxylic acid, 6-(acetyloxy)-1a,2,3,6,7,7a,8,9,10a,10b-decahydro-1a-methyl-8-methylene-7-[(2-methyl-1-oxo-2-propen-1-yl)oxy]-9-oxo-, methyl ester, (1aR,4Z,6S,7S,7aR,10aS,10bR)-;

标识符

InChIKey:
LJKGHMJIYVXYAL-NIWVQZBGSA-N
Inchi:
1S/C22H26O9/c1-10(2)19(24)29-16-14-11(3)20(25)30-17(14)18-22(5,31-18)9-7-8-13(21(26)27-6)15(16)28-12(4)23/h8,14-18H,1,3,7,9H2,2,4-6H3/b13-8+/t14-,15+,16+,17+,18-,22-/m1/s1
SMILES:
O1[C@@H]2[C@@H]3[C@H](C(=C)C(=O)O3)[C@@H]([C@H](C(C(=O)OC)=CCC[C@@]12C)OC(C)=O)OC(C(=C)C)=O |c:16|

环氧并[9,10]环癸并[1,2-b]呋喃-5-羧酸,6-(乙酰氧基)-1a,2,3,6,7,7a,8,9,10a,10b-十氢-1a-甲基-8-亚甲基-7-[(2-甲基-1-氧代-2-丙烯-1-基)氧基]-9-氧代-甲酯,(1aR,4Z,6S,7S,7aR,10aS,10bR)-(38096-48-9)物化性质

实验特性

  • 沸点 : 559.9±50.0 °C(Predicted)
  • 密度 : 1.28±0.1 g/cm3(Predicted)

计算特性

  • 氢键供体数量 : 0
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 7
  • 重原子数量 : 31
  • 复杂度 : 885
  • 疏水参数计算参考值(XlogP) : 1.474
  • 拓扑分子极性表面积 : 118