10,11-(Methylenedioxy)camptothecin
C21H16N2O6
135415-73-5 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  29 34 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 1.6775 5.7998 0.0 0
M  V30 2 C 2.2042 7.2468 0.0 0
M  V30 3 O 3.6574 5.7998 0.0 0
M  V30 4 O 5.3347 0.0000 0.0 0
M  V30 5 O 0.0000 4.6200 0.0 0
M  V30 6 C 4.0011 3.8500 0.0 0
M  V30 7 C 4.0011 2.3100 0.0 0
M  V30 8 C 2.6674 4.6200 0.0 0 CFG=1
M  V30 9 C 5.3347 4.6200 0.0 0
M  V30 10 C 5.3347 1.5400 0.0 0
M  V30 11 C 2.6674 1.5400 0.0 0
M  V30 12 C 1.3338 3.8500 0.0 0
M  V30 13 C 6.6685 3.8500 0.0 0
M  V30 14 N 6.6685 2.3100 0.0 0
M  V30 15 O 1.3338 2.3100 0.0 0
M  V30 16 C 8.1331 4.3259 0.0 0
M  V30 17 C 8.1331 1.8341 0.0 0
M  V30 18 C 9.0383 3.0800 0.0 0
M  V30 19 N 8.7594 5.7328 0.0 0
M  V30 20 C 10.5698 3.2409 0.0 0
M  V30 21 C 10.2911 5.8938 0.0 0
M  V30 22 C 11.1963 4.6479 0.0 0
M  V30 23 C 10.9174 7.3006 0.0 0
M  V30 24 C 12.7279 4.8088 0.0 0
M  V30 25 C 12.4490 7.4616 0.0 0
M  V30 26 C 13.3542 6.2158 0.0 0
M  V30 27 O 13.3542 8.7075 0.0 0
M  V30 28 O 14.8189 6.6916 0.0 0
M  V30 29 C 14.8189 8.2316 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 8 1 CFG=3
M  V30 3 1 8 3 CFG=1
M  V30 4 2 4 10
M  V30 5 2 5 12
M  V30 6 2 6 7
M  V30 7 1 6 8
M  V30 8 1 6 9
M  V30 9 1 7 10
M  V30 10 1 7 11
M  V30 11 1 8 12
M  V30 12 2 9 13
M  V30 13 1 10 14
M  V30 14 1 11 15
M  V30 15 1 12 15
M  V30 16 1 13 14
M  V30 17 1 13 16
M  V30 18 1 14 17
M  V30 19 1 16 18
M  V30 20 2 16 19
M  V30 21 1 17 18
M  V30 22 2 18 20
M  V30 23 1 19 21
M  V30 24 1 20 22
M  V30 25 1 21 22
M  V30 26 2 21 23
M  V30 27 2 22 24
M  V30 28 1 23 25
M  V30 29 1 24 26
M  V30 30 2 25 26
M  V30 31 1 25 27
M  V30 32 1 26 28
M  V30 33 1 27 29
M  V30 34 1 28 29
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
135415-73-5

> <cas.index.name>
10H-1,3-Dioxolo[4,5-g]pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-8,11(7H,13H)-dione, 7-ethyl-7-hydroxy-, (7S)-

> <molecular.formula>
C21H16N2O6

> <molecular.weight>
392.36

> <boiling.point.predicted>
812.1±65.0 °C    Press: 760 Torr

> <density.predicted>
1.64±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
11.18±0.20    Most Acidic Temp: 25 °C

$$$$
