rel-(6R,9aS)-Octahydro-3-oxo-2,6-methano-2H-quinolizin-8-yl 1H-indole-3-carbo...
C19H20N2O3.CH4O3S.H2O
878143-33-0 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  32 34 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.3486 8.1903 0.0 0
M  V30 2 C 5.3180 9.3347 0.0 0
M  V30 3 O 5.7940 10.7993 0.0 0
M  V30 4 O 15.4198 8.7107 0.0 0
M  V30 5 C 10.3835 7.6763 0.0 0 CFG=2
M  V30 6 N 10.9240 9.0719 0.0 0 CFG=2
M  V30 7 C 11.6988 6.8565 0.0 0
M  V30 8 C 8.8835 7.3646 0.0 0
M  V30 9 C 9.8337 10.2868 0.0 0 CFG=1
M  V30 10 C 12.4529 9.3821 0.0 0
M  V30 11 C 12.3771 8.5139 0.0 0
M  V30 12 C 7.8548 8.5105 0.0 0 CFG=1
M  V30 13 C 11.0122 10.0343 0.0 0
M  V30 14 C 8.3261 9.9682 0.0 0
M  V30 15 C 13.8846 8.8325 0.0 0
M  V30 16 C 3.8118 9.0145 0.0 0
M  V30 17 C 2.6674 10.0451 0.0 0
M  V30 18 C 3.1854 7.6077 0.0 0
M  V30 19 C 1.3336 9.2751 0.0 0
M  V30 20 C 2.6674 11.5850 0.0 0
M  V30 21 N 1.6538 7.7687 0.0 0
M  V30 22 C 0.0000 10.0451 0.0 0
M  V30 23 C 1.3336 12.3550 0.0 0
M  V30 24 C 0.0000 11.5850 0.0 0
M  V30 25 H 10.1135 6.1600 0.0 0
M  V30 26 H 9.8359 11.8267 0.0 0
M  V30 27 S 7.7099 3.0800 0.0 0 VAL=6
M  V30 28 C 6.1699 3.0800 0.0 0
M  V30 29 O 7.7099 4.6200 0.0 0
M  V30 30 O 7.7099 1.5400 0.0 0
M  V30 31 O 9.2499 3.0800 0.0 0
M  V30 32 O 7.7099 0.0000 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 12 1 CFG=1
M  V30 3 2 2 3
M  V30 4 1 2 16
M  V30 5 2 4 15
M  V30 6 1 5 6
M  V30 7 1 5 7
M  V30 8 1 5 8
M  V30 9 1 5 25 CFG=3
M  V30 10 1 6 9
M  V30 11 1 6 10 CFG=1
M  V30 12 1 7 11
M  V30 13 1 8 12
M  V30 14 1 9 13 CFG=1
M  V30 15 1 9 14
M  V30 16 1 9 26 CFG=3
M  V30 17 1 10 15
M  V30 18 1 11 13
M  V30 19 1 11 15
M  V30 20 1 12 14
M  V30 21 1 16 17
M  V30 22 2 16 18
M  V30 23 1 17 19
M  V30 24 2 17 20
M  V30 25 1 18 21
M  V30 26 1 19 21
M  V30 27 2 19 22
M  V30 28 1 20 23
M  V30 29 1 22 24
M  V30 30 2 23 24
M  V30 31 1 27 28
M  V30 32 2 27 29
M  V30 33 2 27 30
M  V30 34 1 27 31
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEREL1 ATOMS=(4 5 6 9 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
878143-33-0

> <cas.index.name>
1H-Indole-3-carboxylic acid, (6R,9aS)-octahydro-3-oxo-2,6-methano-2H-quinolizin-8-yl ester, rel-, methanesulfonate, hydrate (1:1:1)

> <molecular.formula>
C19H20N2O3.CH4O3S.H2O

> <molecular.weight>
438.50

$$$$
