(3R,4S)-3,4-Dihydro-3,4-bis(4-hydroxyphenyl)-8-methyl-2H-1-benzopyran-7-ol
C22H20O4
1374524-68-1 Copyright (C) 2024 ACS
 26 29  0  0  1  0  0  0  0  0999 V2000
   11.5500    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0900    5.3347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    5.3347    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4700    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    6.6685    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2400    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    8.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7800    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7800    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 14  1  0  0  0  0
  3 20  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  6  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 21  1  6  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
> <cas.rn>
1374524-68-1

> <cas.index.name>
2H-1-Benzopyran-7-ol, 3,4-dihydro-3,4-bis(4-hydroxyphenyl)-8-methyl-, (3R,4S)-

> <molecular.formula>
C22H20O4

> <molecular.weight>
348.39

> <boiling.point.predicted>
534.907±50.00 °C    Press: 760.00 Torr

> <density.predicted>
1.304±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
9.978±0.30    Most Acidic Temp: 25 °C

$$$$
