β-D-Glucopyranoside, (1R,2R,7E)-2-hydroxy-1-[(1E)-5-hydroxy-1-pentenyl]-7-non...
C20H28O8
129277-38-9 Copyright (C) 2024 ACS
 28 28  0  0  1  0  0  0  0  0999 V2000
    7.7000    5.3347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    6.6684    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7000    8.0021    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3900    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    9.3358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7800    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.6694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1700    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7100    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    2.6673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.3336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    4.0011    0.0000 C   0  0  1  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
    7.7000    2.6673    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6200    2.6673    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9300    1.3336    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3900    1.3336    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
 23  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  6  0  0  0
  4  7  2  0  0  0  0
  5  8  3  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  3  0  0  0  0
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 12 14  1  0  0  0  0
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 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 25 18  1  6  0  0  0
 19 20  1  0  0  0  0
 26 19  1  1  0  0  0
 27 21  1  1  0  0  0
 28 22  1  6  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
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 27 28  1  0  0  0  0
M  END
> <cas.rn>
129277-38-9

> <cas.index.name>
β-D-Glucopyranoside, (1R,2R,7E)-2-hydroxy-1-[(1E)-5-hydroxy-1-pentenyl]-7-nonene-3,5-diynyl

> <molecular.formula>
C20H28O8

> <molecular.weight>
396.43

> <boiling.point.predicted>
698.494±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.355±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
11.393±0.20    Most Acidic Temp: 25 °C

$$$$
