Vitamin E succinate
C33H54O5
4345-03-3 Copyright (C) 2024 ACS
 38 39  0  0  1  0  0  0  0  0999 V2000
   10.0100    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4996    4.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9468    4.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1264    3.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5736    4.4084    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.7534    3.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8411    5.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2005    3.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3801    2.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8273    3.4821    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   24.0071    2.4922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0948    4.9987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4542    3.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6338    2.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0810    2.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2606    1.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3483    4.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4996    6.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    1.3338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    5.3347    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7000    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
 35  3  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 35 19  1  6  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  2  0  0  0  0
 30 33  2  0  0  0  0
 30 34  1  0  0  0  0
 31 35  1  0  0  0  0
 32 36  1  0  0  0  0
 33 37  1  0  0  0  0
 34 38  1  0  0  0  0
 35 38  1  0  0  0  0
 36 37  2  0  0  0  0
M  END
> <cas.rn>
4345-03-3

> <cas.index.name>
Butanedioic acid, 1-[(2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl] ester

> <molecular.formula>
C33H54O5

> <molecular.weight>
530.78

> <melting.point.experimental>
76-77 °C

> <boiling.point.predicted>
625.837±55.00 °C    Press: 760.00 Torr

> <density.experimental>
0.6998 g/cm³ (crystalline)    Temp: 50 °C; Press: 1.13 x 10⁵ Torr

> <pka.predicted>
4.353±0.17    Most Acidic Temp: 25 °C

$$$$
