Salvianolic acid F
C17H14O6
158732-59-3 Copyright (C) 2025 ACS
 23 24  0  0  0  0  0  0  0  0999 V2000
    6.1600    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    5.3347    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
   10.7800    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0900    6.6684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7800    8.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    2.6673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400   10.6694    0.0000 O   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
    8.4700    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    6.6684    0.0000 C   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
    1.5400    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    9.3358    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
  1  2  2  0  0  0  0
  1 12  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  2  0  0  0  0
  3 13  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
  8 14  1  0  0  0  0
  9 16  1  0  0  0  0
 10 21  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <cas.rn>
158732-59-3

> <cas.index.name>
2-Propenoic acid, 3-[2-[(1E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl]-, (2E)-

> <molecular.formula>
C17H14O6

> <molecular.weight>
314.29

> <melting.point.experimental>
184-185 °C

> <boiling.point.predicted>
636.766±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.556±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
4.548±0.15    Most Acidic Temp: 25 °C

$$$$
