27579-97-1 (萘并[1,2-b]呋喃-2(3H)-酮,3a,4,5,5a,6,7,8,9b-八氢-5a,9-二甲基-3-亚甲基-(3aS,5aR,9bR)-,Naphtho[1,2-b]furan-2(3H)-one,3a,4,5,5a,6,7,8,9b-octahydro-5a,9-dimethyl-3-methylene-, (3aS,5aR,9bR)-)

CAS号:
27579-97-1
中文名称:
萘并[1,2-b]呋喃-2(3H)-酮,3a,4,5,5a,6,7,8,9b-八氢-5a,9-二甲基-3-亚甲基-(3aS,5aR,9bR)-
英文名称:
Naphtho[1,2-b]furan-2(3H)-one,3a,4,5,5a,6,7,8,9b-octahydro-5a,9-dimethyl-3-methylene-, (3aS,5aR,9bR)-
分子式:
C15H20O2
分子量:
232.318104743958

萘并[1,2-b]呋喃-2(3H)-酮,3a,4,5,5a,6,7,8,9b-八氢-5a,9-二甲基-3-亚甲基-(3aS,5aR,9bR)-(27579-97-1)名称与标识符

名称

英文别名:
Naphtho[1,2-b]furan-2(3H)-one,3a,4,5,5a,6,7,8,9b-octahydro-5a,9-dimethyl-3-methylene-, (3aS,5aR,9bR)-;(3aS,5aR,9bR)-5a,9-Dimethyl-3-methylene-3a,4,5,5a,6,7,8,9b-octahy dronaphtho[1,2-b]furan-2(3H)-one;UNII-ZPN5AE55ES;TOURNEFORTIOLIDE;(3AS,5AR,9BR)-3A,4,5,5A,6,7,8,9B-OCTAHYDRO-5A,9-DIMETHYL-3-METHYLENENAPHTHO(1,2-B)FURAN-2(3H)-ONE;(3aS,5aR,9bR)-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one;C09454;Q27106677;62860-37-1;AC1L4POH;27579-97-1;NAPHTHO(1,2-B)FURAN-2(3H)-ONE, 3A,4,5,5A,6,7,8,9B-OCTAHYDRO-5A,9-DIMETHYL-3-METHYLENE-, (3AS,5AR,9BR)-;ZPN5AE55ES;CHEBI:5177;NAPHTHO(1,2-B)FURAN-2(3H)-ONE, 3A,4,5,5A,6,7,8,9B-OCTAHYDRO-5A,9-DIMETHYL-3-METHYLENE-, (3AS-(3A.ALPHA.,5A.BETA.,9B.ALPHA.))-;AC1Q69UB;SCHEMBL14987851;Frullanolide;DTXSID70212032;Naphtho(1,2-b)furan-2(3H)-one, 3a,4,5,5a,6,7,8,9b-octahydro-5a,9-dimethyl-3-methylene-, (3aalpha,5abeta,9balpha)-(+-)-;Naphtho(1,2-b)furan-2(3H)-one, 3a,4,5,5a,6,7,8,9b-octahydro-5a,9-dimethyl-3-methylene-, (3aS-(3aalpha,5abeta,9balpha))-;(+)-Frullanolide;[3aR-(3aalpha,5abeta,9balpha)]-3a,4,5,5a,6,7,8,9b-Octahydro-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one;(-)-Frullanolide;[3aS-(3aalpha,5abeta,9balpha)]-3a,4,5,5a,6,7,8,9b-Octahydro-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one;

标识符

InChIKey:
PJPHIAMRKUNVSU-NJZAAPMLSA-N
Inchi:
1S/C15H20O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h11,13H,2,4-8H2,1,3H3/t11-,13+,15+/m0/s1
SMILES:
O1C(C(=C)[C@@H]2CC[C@@]3(C)CCCC(C)=C3[C@H]12)=O

萘并[1,2-b]呋喃-2(3H)-酮,3a,4,5,5a,6,7,8,9b-八氢-5a,9-二甲基-3-亚甲基-(3aS,5aR,9bR)-(27579-97-1)物化性质

计算特性

  • 精确分子量 : 232.146329876g/mol
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 0
  • 同位素质量 : 232.146329876g/mol
  • 重原子数量 : 17
  • 复杂度 : 432
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 3
  • 不确定原子立构中心数量 : 0
  • 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) : 3.1
  • 拓扑分子极性表面积 : 26.3Ų

萘并[1,2-b]呋喃-2(3H)-酮,3a,4,5,5a,6,7,8,9b-八氢-5a,9-二甲基-3-亚甲基-(3aS,5aR,9bR)-(27579-97-1)相关文献