32223-12-4 (萘并[1,2-b]呋喃-2(3H)-酮,十氢-6-羟基-3,5a-二甲基-9-亚甲基-(3S,3aS,5aR,6R,9aS,9bS)-,Naphtho[1,2-b]furan-2(3H)-one,decahydro-6-hydroxy-3,5a-dimethyl-9-methylene-, (3S,3aS,5aR,6R,9aS,9bS)-)

CAS号:
32223-12-4
中文名称:
萘并[1,2-b]呋喃-2(3H)-酮,十氢-6-羟基-3,5a-二甲基-9-亚甲基-(3S,3aS,5aR,6R,9aS,9bS)-
英文名称:
Naphtho[1,2-b]furan-2(3H)-one,decahydro-6-hydroxy-3,5a-dimethyl-9-methylene-, (3S,3aS,5aR,6R,9aS,9bS)-
分子式:
C15H22O3
分子量:
250.333384990692

萘并[1,2-b]呋喃-2(3H)-酮,十氢-6-羟基-3,5a-二甲基-9-亚甲基-(3S,3aS,5aR,6R,9aS,9bS)-(32223-12-4)名称与标识符

名称

英文别名:
Naphtho[1,2-b]furan-2(3H)-one,decahydro-6-hydroxy-3,5a-dimethyl-9-methylene-, (3S,3aS,5aR,6R,9aS,9bS)-;11beta,13-dihydro-reynosin;DTXSID70954061;(3S,3aS,5aR,6R,9aS,9bS)-6-hydroxy-3,5a-dimethyl-9-methylene-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g]benzofuran-2-one;Naphtho(1,2-b)furan-2(3H)-one, decahydro-6-hydroxy-3,5a-dimethyl-9-methylene-, (3S-(3alpha,3aalpha,5abeta,6beta,9aalpha,9bbeta))-;11Beta,13-Dihydroreynosin;CHEMBL272177;(2S,5S,9R,10R)-10-Hydroxy-5,9-dimethyl-13-methylene-3-oxatricyclo[7.4.0.0<2,6>]tridecan-4-one;1-Hydroxy-4(15),11(13)-eudesmadien-12,6-olide;6-Hydroxy-3,5a-dimethyl-9-methylidenedecahydronaphtho[1,2-b]furan-2(3H)-one;11-beta-H,13-Dihydroreynosin;11-epi-Dihydroreynosin;Dihydroreynosin;32223-12-4;11betaH,13-Dihydroreynosin;elemanolide-related 2;865668-53-7;[3S-(3alpha,3aalpha,5abeta,6beta,9aalpha,9bbeta)]-Decahydro-6-hydroxy-3,5a-dimethyl-9-methylenenaphtho[1,2-b]furan-2(3H)-one;82292-50-0;11alpha,13-Dihydroreynosin;

标识符

InChIKey:
JWBPWNWPEVPCMJ-DMLGPZFASA-N
Inchi:
1S/C15H22O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h9-13,16H,1,4-7H2,2-3H3/t9-,10-,11+,12+,13-,15-/m0/s1
SMILES:
O1C([C@@H](C)[C@@H]2CC[C@@]3(C)[C@@H](CCC(=C)[C@@H]3[C@@H]12)O)=O

萘并[1,2-b]呋喃-2(3H)-酮,十氢-6-羟基-3,5a-二甲基-9-亚甲基-(3S,3aS,5aR,6R,9aS,9bS)-(32223-12-4)物化性质

实验特性

  • PSA : 46.53

计算特性

  • 精确分子量 : 250.15696
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 0
  • 同位素质量 : 250.15689456g/mol
  • 重原子数量 : 18
  • 复杂度 : 403
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 6
  • 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) : 2.2
  • 拓扑分子极性表面积 : 46.5Ų