(2R)-3,4-二氢-2,5,8-三甲基-2-[(4R,8R)-4,8,12-三甲基十三烷基]-2H-1-苯并吡喃-6-乙酸酯结构式

(2R)-3,4-二氢-2,5,8-三甲基-2-[(4R,8R)-4,8,12-三甲基十三烷基]-2H-1-苯并吡喃-6-乙酸酯
中文名称:(2R)-3,4-二氢-2,5,8-三甲基-2-[(4R,8R)-4,8,12-三甲基十三烷基]-2H-1-苯并吡喃-6-乙酸酯
英文名称:(2R)-3,4-Dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl acetate
CAS No.:402717-54-8
分子式:C30H50O3 分子量:458.72
(2R)-3,4-二氢-2,5,8-三甲基-2-[(4R,8R)-4,8,12-三甲基十三烷基]-2H-1-苯并吡喃-6-乙酸酯 数据
Mol:
6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0078   -2.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3685   -1.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5365   -1.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7016   -2.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0070   -1.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753   -1.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1872   -2.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6221   -4.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286   -2.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0172   -1.7879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1580   -3.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  2  0  0  0  0
  2  9  2  0  0  0  0
  3  1  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  6  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  1  0  0  0
 13 27  1  0  0  0  0
 14 13  1  0  0  0  0
 15 24  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 20  1  0  0  0  0
 24 25  1  0  0  0  0
 25 14  1  0  0  0  0
 27 28  1  0  0  0  0
 30  2  1  0  0  0  0
 31 32  2  0  0  0  0
 33 31  1  0  0  0  0
 14 26  1  1  0  0  0
M  END                                
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(2R)-3,4-二氢-2,5,8-三甲基-2-[(4R,8R)-4,8,12-三甲基十三烷基]-2H-1-苯并吡喃-6-乙酸酯 Smile 编码:
C1(OC(C)=O)=CC(C)=C2C(CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2)=C1C
(2R)-3,4-二氢-2,5,8-三甲基-2-[(4R,8R)-4,8,12-三甲基十三烷基]-2H-1-苯并吡喃-6-乙酸酯 InChi 编码:
1S/C30H50O3/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-30(8)19-17-27-25(6)28(32-26(7)31)20-24(5)29(27)33-30/h20-23H,9-19H2,1-8H3/t22-,23-,30-/m1/s1
(2R)-3,4-二氢-2,5,8-三甲基-2-[(4R,8R)-4,8,12-三甲基十三烷基]-2H-1-苯并吡喃-6-乙酸酯 InChiKey 编码:
OBYRLAGSPYKPGO-IQLGONJTSA-N