Purpurin 18
C33H32N4O5
25465-77-4 Copyright (C) 2024 ACS
 42 47  0  0  1  0  0  0  0  0999 V2000
   12.7562    9.7921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2000    8.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5336    7.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8671    8.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8671    9.6578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2007    7.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2104   13.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5007   14.0504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8391    4.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4623    9.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1570    1.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1348    6.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8116    1.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2560    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0867    9.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6954   10.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4479    7.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3372   10.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4691   11.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3563    9.3238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8663    7.3479    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4097    6.8308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1398   11.9308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282   11.8006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7029   12.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2435   10.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7002    5.8042    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1803    5.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7631   10.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5328    4.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1280    8.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0555    3.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6112    8.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9115    7.3884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9289    4.8706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4074    2.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4601    6.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8859    6.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5811    4.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8663    2.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2218    4.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2  3  1  0  0  0  0
 22  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  7 25  1  0  0  0  0
  8 26  2  0  0  0  0
 28  9  1  6  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  2  0  0  0  0
 14 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 27 30  1  0  0  0  0
 28 29  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 33 36  1  0  0  0  0
 33 37  1  0  0  0  0
 34 38  2  0  0  0  0
 35 39  2  0  0  0  0
 36 40  1  0  0  0  0
 37 41  2  0  0  0  0
 38 39  1  0  0  0  0
 39 42  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  2  0  0  0  0
M  END
> <cas.rn>
25465-77-4

> <cas.index.name>
15H-9,12-Imino-21,2-metheno-4,7:17,14-dinitrilopyrano[4,3-b]azacyclononadecine-16-propanoic acid, 10-ethenyl-5-ethyl-1,16,18,20-tetrahydro-6,11,15,22-tetramethyl-18,20-dioxo-, (15S,16S)-

> <molecular.formula>
C33H32N4O5

> <molecular.weight>
564.63

> <boiling.point.predicted>
1046.086±65.00 °C    Press: 760.00 Torr

> <density.predicted>
1.314±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

$$$$
