Garcinone D
C24H28O7
107390-08-9 Copyright (C) 2025 ACS
 31 33  0  0  0  0  0  0  0  0999 V2000
    4.0011    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1274    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2074    1.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    3.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    5.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    8.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    3.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0032    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6705    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6705    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0043    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0032    8.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    8.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    8.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    8.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6696    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6696    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  7 21  2  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
 10 26  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
> <cas.rn>
107390-08-9

> <cas.index.name>
9H-Xanthen-9-one, 1,3,6-trihydroxy-8-(3-hydroxy-3-methylbutyl)-7-methoxy-2-(3-methyl-2-buten-1-yl)-

> <molecular.formula>
C24H28O7

> <molecular.weight>
428.48

> <melting.point.experimental>
202-204 °C

> <boiling.point.predicted>
674.198±55.00 °C    Press: 760.00 Torr

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

> <pka.predicted>
7.217±0.20    Most Acidic Temp: 25 °C

$$$$
