(-)-Moracin O
C19H18O5
123702-97-6 Copyright (C) 2025 ACS
 24 27  0  0  1  0  0  0  0  0999 V2000
   13.5671    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5671    4.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1071    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5671    1.1274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6572    3.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6572    1.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3235    4.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1219    3.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3235    1.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1219    1.4216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9899    3.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0271    2.6674    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9899    1.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5252    3.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5252    1.4216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
 14  1  1  6  0  0  0
  5 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <cas.rn>
123702-97-6

> <cas.index.name>
1,3-Benzenediol, 5-[(6R)-5,6-dihydro-6-(1-hydroxy-1-methylethyl)benzo[1,2-b:5,4-b′]difuran-2-yl]-

> <molecular.formula>
C19H18O5

> <molecular.weight>
326.34

> <boiling.point.predicted>
556.971±38.00 °C    Press: 760.00 Torr

> <density.predicted>
1.384±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
9.098±0.10    Most Acidic Temp: 25 °C

$$$$
