Simvastatin ammonium salt
C25H40O6.H3N
139893-43-9 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  33 33 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.3348 6.5174 0.0 0
M  V30 2 C 5.3348 4.9774 0.0 0
M  V30 3 C 6.6687 4.2073 0.0 0
M  V30 4 O 4.0012 4.2073 0.0 0
M  V30 5 C 5.8986 2.8737 0.0 0
M  V30 6 C 8.0023 3.4373 0.0 0
M  V30 7 C 7.4387 5.5412 0.0 0
M  V30 8 C 6.6687 1.5400 0.0 0
M  V30 9 C 6.6687 8.8274 0.0 0
M  V30 10 C 8.0023 9.5975 0.0 0
M  V30 11 C 9.3360 8.8274 0.0 0 CFG=1
M  V30 12 C 10.6698 9.5975 0.0 0
M  V30 13 O 9.3360 7.2874 0.0 0
M  V30 14 C 12.0035 8.8274 0.0 0 CFG=1
M  V30 15 C 13.3372 9.5975 0.0 0
M  V30 16 O 12.0035 7.2874 0.0 0
M  V30 17 C 14.6708 8.8274 0.0 0
M  V30 18 O 16.0046 9.5975 0.0 0
M  V30 19 O 14.6708 7.2874 0.0 0
M  V30 20 C 6.6687 11.9075 0.0 0
M  V30 21 C 0.0000 6.5174 0.0 0
M  V30 22 C 4.0012 8.8274 0.0 0 CFG=2
M  V30 23 C 4.0012 7.2874 0.0 0 CFG=1
M  V30 24 C 2.6675 9.5975 0.0 0
M  V30 25 C 5.3348 9.5975 0.0 0 CFG=1
M  V30 26 C 2.6675 6.5174 0.0 0
M  V30 27 C 2.6675 11.1375 0.0 0
M  V30 28 C 1.3338 8.8274 0.0 0
M  V30 29 C 5.3348 11.1375 0.0 0 CFG=1
M  V30 30 C 1.3338 7.2874 0.0 0 CFG=1
M  V30 31 C 4.0012 11.9075 0.0 0
M  V30 32 H 5.3348 8.0574 0.0 0
M  V30 33 N 8.0023 0.0000 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 23 1 CFG=1
M  V30 3 1 2 3
M  V30 4 2 2 4
M  V30 5 1 3 5
M  V30 6 1 3 6
M  V30 7 1 3 7
M  V30 8 1 5 8
M  V30 9 1 9 10
M  V30 10 1 25 9 CFG=3
M  V30 11 1 10 11
M  V30 12 1 11 12
M  V30 13 1 11 13 CFG=3
M  V30 14 1 12 14
M  V30 15 1 14 15
M  V30 16 1 14 16 CFG=3
M  V30 17 1 15 17
M  V30 18 1 17 18
M  V30 19 2 17 19
M  V30 20 1 29 20 CFG=3
M  V30 21 1 30 21 CFG=1
M  V30 22 1 22 23
M  V30 23 1 22 24
M  V30 24 1 22 25
M  V30 25 1 22 32 CFG=3
M  V30 26 1 23 26
M  V30 27 1 24 27
M  V30 28 2 24 28
M  V30 29 1 25 29
M  V30 30 1 26 30
M  V30 31 2 27 31
M  V30 32 1 28 30
M  V30 33 1 29 31
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(7 11 14 22 23 25 29 30)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
139893-43-9

> <cas.index.name>
1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-β,δ-dihydroxy-2,6-dimethyl-, ammonium salt (1:1), (βR,δR,1S,2S,6R,8S,8aR)-

> <molecular.formula>
C25H40O6.H3N

> <molecular.weight>
453.61

$$$$
