155661-04-4 (N-[(1S,2R,3E)-2-羟基-1-(羟甲基)-15-甲基-3-十六烯-1-基]-21-甲基二十二烷酰胺-,Docosanamide,N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-15-methyl-3-hexadecen-1-yl]-21-methyl-)

CAS号:
155661-04-4
中文名称:
N-[(1S,2R,3E)-2-羟基-1-(羟甲基)-15-甲基-3-十六烯-1-基]-21-甲基二十二烷酰胺-
英文名称:
Docosanamide,N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-15-methyl-3-hexadecen-1-yl]-21-methyl-
分子式:
C41H81NO3
分子量:
636.086753606796

N-[(1S,2R,3E)-2-羟基-1-(羟甲基)-15-甲基-3-十六烯-1-基]-21-甲基二十二烷酰胺-(155661-04-4)名称与标识符

名称

英文别名:
Docosanamide,N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-15-methyl-3-hexadecen-1-yl]-21-methyl-;Docosanamide,N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-15-methyl-3-hexadecenyl]-21-methyl-(9CI);Docosanamide,N-[2-hydroxy-1-(hydroxymethyl)-15-methyl-3-hexadecenyl]-21-methyl-,[R-[R*,S*-(E)]]-;Oceanapin D;

标识符

InChIKey:
NFRFTHZLMXCRCE-VBMGMRCRSA-N
Inchi:
1S/C41H81NO3/c1-37(2)32-28-24-20-16-12-10-8-6-5-7-9-11-13-19-23-27-31-35-41(45)42-39(36-43)40(44)34-30-26-22-18-15-14-17-21-25-29-33-38(3)4/h30,34,37-40,43-44H,5-29,31-33,35-36H2,1-4H3,(H,42,45)/b34-30+
SMILES:
CC(CCCCCCCCCCCCCCCCCCCC(NC(C(/C=C/CCCCCCCCCCC(C)C)O)CO)=O)C

N-[(1S,2R,3E)-2-羟基-1-(羟甲基)-15-甲基-3-十六烯-1-基]-21-甲基二十二烷酰胺-(155661-04-4)物化性质

实验特性

  • PSA : 69.56

计算特性

  • 精确分子量 : 635.62203