γ-Tocotrienol
C28H42O2
14101-61-2 Copyright (C) 2024 ACS
 30 31  0  0  1  0  0  0  0  0999 V2000
    5.0131    0.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9270    4.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2606    4.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5943    4.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9281    4.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2618    4.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9281    6.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5954    4.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9291    4.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2629    4.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5966    4.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2629    6.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9302    4.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2639    4.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5977    4.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9314    4.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5977    6.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5831    6.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9799    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5498    3.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5599    4.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0665    3.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0232    1.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0868    5.7886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0433    4.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5933    4.8763    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5065    1.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6034    6.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5166    2.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
 27  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 27 18  1  6  0  0  0
 19 28  1  0  0  0  0
 20 30  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
> <cas.rn>
14101-61-2

> <cas.index.name>
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-, (2R)-

> <molecular.formula>
C28H42O2

> <molecular.weight>
410.63

> <boiling.point.predicted>
530.778±49.00 °C    Press: 760.00 Torr

> <density.predicted>
0.965±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
11.047±0.40    Most Acidic Temp: 25 °C

$$$$
