Noscapine
C22H23NO7
128-62-1 Copyright (C) 2024 ACS
 32 36  0  0  1  0  0  0  0  0999 V2000
    4.7474    2.1602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9774    0.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5974    6.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9529    0.3220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2414    0.5267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6885    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6008    2.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7806    3.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7474    4.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2874    4.8276    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9774    3.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9774    6.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0574    6.1612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    3.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    6.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2596    4.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0594    2.9168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5269    2.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4392    5.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1672    1.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9740    2.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8863    4.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0199    3.3110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1070    5.7952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  3 13  1  0  0  0  0
  4 27  2  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
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  9 12  2  0  0  0  0
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 19 21  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 32  1  1  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 27  1  0  0  0  0
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 29 30  2  0  0  0  0
M  END
> <cas.rn>
128-62-1

> <cas.index.name>
1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, (3S)-

> <molecular.formula>
C22H23NO7

> <molecular.weight>
413.42

> <melting.point.experimental>
176 °C

> <boiling.point.predicted>
565.316±50.00 °C    Press: 760.00 Torr

> <density.experimental>
1.395 g/cm³

> <pka.predicted>
6.318±0.40    Most Basic Temp: 25 °C

$$$$
