149598-71-0 (Stachybotramide,Stachybotramide)

Stachybotramide(149598-71-0)名称与标识符

名称

英文别名:
Spiro[2H-furo[2,3-e]isoindole-2,1'(2'H)-naphthalen]-6(3H)-one,3',4',4'a,5',6',7,7',8,8',8'a-decahydro-4,6'-dihydroxy-7-(2-hydroxyethyl)-2',5',5',8'a-tetramethyl-,(1'R,2'R,4'aS,6'R,8'aS)-;Stachybotramide;Spiro[2H-furo[2,3-e]isoindole-2,1'(2'H)-naphthalen]-6(3H)-one,3',4',4'a,5',6',7,7',8,8',8'a-decahydro-4,6'-dihydroxy-7-(2-hyd;Spiro[2H-furo[2,3-e]isoindole-2,1'(2'H)-naphthalen]-6(3H)-one,3',4',4'a,5',6',7,7',8,8',8'a-decahydro-4,6'-dihydroxy-7-(2-hydroxyethyl)-2',5',5',8'a-tetramethyl-,[1'R-(1'a,2'a,4'aa,6'a,8'ab)]-;Stachybotrin;3,4'-Dihydroxy-7'-(2-hydroxyethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8;CHEMBL3104973;(2R,2'R,4a'S,6'R,8a'S)-4,6'-dihydroxy-7-(2-hydroxyethyl)-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7,7',8,8',8a'-decahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-6(3H)-one;149598-71-0;(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-7'-(2-hydroxyethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-6'-one;AKOS040762371;Chartarlactam N;

标识符

InChIKey:
ZHECNBLIOXZXBL-TUJJLKMMSA-N
Inchi:
1S/C25H35NO5/c1-14-5-6-19-23(2,3)20(29)7-8-24(19,4)25(14)12-16-18(28)11-15-17(21(16)31-25)13-26(9-10-27)22(15)30/h11,14,19-20,27-29H,5-10,12-13H2,1-4H3/t14-,19+,20-,24+,25-/m1/s1
SMILES:
O1C2C3CN(CCO)C(C=3C=C(C=2C[C@@]21[C@H](C)CC[C@H]1C(C)(C)[C@@H](CC[C@@]12C)O)O)=O

Stachybotramide(149598-71-0)物化性质

实验特性

  • 颜色与性状 : Powder

计算特性

  • 精确分子量 : 429.25152322 g/mol
  • 氢键供体数量 : 3
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 2
  • 同位素质量 : 429.25152322 g/mol
  • 重原子数量 : 31
  • 复杂度 : 741
  • 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 : 5
  • 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) : 3.2
  • 拓扑分子极性表面积 : 90.2
  • 分子量 : 429.5

Stachybotramide(149598-71-0)参考资料

Reaxys RN:
PubChem CID: