Triamcinolone hexacetonide
C30H41FO7
5611-51-8 Copyright (C) 2024 ACS
 41 45  0  0  1  0  0  0  0  0999 V2000
   10.3089    4.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7650    3.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0151    5.5963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9273    4.5936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3834    4.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5456    5.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6772    2.5805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0017    4.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7079    6.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1640    5.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2955    3.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4091    4.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6247    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4630    1.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    7.9548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9856    7.0405    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8843    7.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.7249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1467    3.0742    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0021    4.1048    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5202    1.6674    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6782    2.9133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    3.3348    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0021    5.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9886    1.8283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6647    0.6370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9984    1.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    4.1048    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6685    6.4148    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3348    5.6448    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0010    3.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.4148    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6673    4.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    5.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    7.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    6.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    8.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    7.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8939    0.2606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9219    1.9879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9361    2.6171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
 19  1  1  1  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 20 12  1  1  0  0  0
 13 27  1  0  0  0  0
 14 27  1  0  0  0  0
 29 15  1  1  0  0  0
 30 16  1  6  0  0  0
 32 17  1  1  0  0  0
 18 38  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 39  1  1  0  0  0
 22 27  1  0  0  0  0
 23 25  1  0  0  0  0
 23 28  1  0  0  0  0
 23 40  1  6  0  0  0
 24 29  1  0  0  0  0
 26 27  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 28 41  1  1  0  0  0
 29 30  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 33 34  1  0  0  0  0
 34 36  2  0  0  0  0
 35 37  2  0  0  0  0
 36 38  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
> <cas.rn>
5611-51-8

> <cas.index.name>
Pregna-1,4-diene-3,20-dione, 21-(3,3-dimethyl-1-oxobutoxy)-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11β,16α)-

> <molecular.formula>
C30H41FO7

> <molecular.weight>
532.64

> <melting.point.experimental>
295 °C

> <boiling.point.predicted>
619.519±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.247±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
13.089±0.70    Most Acidic Temp: 25 °C

$$$$
