95462-13-8 (籼稻,Indicine)

结构式:
CAS号:
95462-13-8
中文名称:
籼稻
英文名称:
Indicine
分子式:
C15H25NO5
分子量:
299.362704992294

籼稻(95462-13-8)名称与标识符

名称

英文别名:
Indicine;lycopsamine;morifoline;MLS002694968;beta-MSH;Heliotridine trachelanthate;9-(+)-Trachelanthylretronecine;Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1S-[1.alpha.,7(2R*,3R*),7a.alpha.]]-;O-Demethylheliotrine;Echinatine;Intermedine;Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1S-(1.alpha.,7(2R,3S),7a.alpha.)]-;9-Viridiflorylretronecine;(+)-Echinatine;MLSMR;Retronecine 9-(-)-viridiflorate;9-(+)-Trachelanthylheliotridine;[(1R,7aR)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2R,3S)-2,3-dihydroxy-2-isopropylbutanoate;Rinderine;SMR001560881;

标识符

InChIKey:
SFVVQRJOGUKCEG-UHFFFAOYSA-N
Inchi:
1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3
SMILES:
CC(C(C(OCC1C2N(CCC2O)CC=1)=O)(C(O)C)O)C

籼稻(95462-13-8)物化性质

计算特性

  • 氢键供体数量 : 3
  • 氢键受体数量 : 6
  • 重原子数量 : 21
  • 疏水参数计算参考值(XlogP) : -0.832