rel-1-(2,3-Dihydro-1H-inden-2-yl) (1β,2R,3α,4R)-2,4-bis(2-methoxyphenyl)-1,3-...
C29H28O6
2766800-24-0 Copyright (C) 2024 ACS
 35 39  0  0  0  0  0  0  0  0999 V2000
    7.4413    6.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7750    5.4887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4413    7.7987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8877    3.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5540    4.3996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8877    2.0895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    5.8872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1690    1.3337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1076    5.4887    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6201    5.8872    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   14.0861    9.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8561    8.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
 11  1  1  6  0  0  0
  2 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
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  7  8  1  0  0  0  0
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 17 19  2  0  0  0  0
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M  END
> <cas.rn>
2766800-24-0

> <cas.index.name>
1,3-Cyclobutanedicarboxylic acid, 2,4-bis(2-methoxyphenyl)-, 1-(2,3-dihydro-1H-inden-2-yl) ester, (1β,2R,3α,4R)-rel-

> <molecular.formula>
C29H28O6

> <molecular.weight>
472.53

> <boiling.point.predicted>
634.896±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.306±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
4.133±0.70    Most Acidic Temp: 25 °C

$$$$
