
 L-Hyoscyamine

 44 46  0  0  0  0  0  0  0  0999 V2000
    0.3272    1.8636   -1.7937 C   0  0  0  0  0
    1.7601    1.6568   -1.6967 N   0  0  0  0  0
    2.2334    0.9561   -0.5005 C   0  0  0  0  0
    3.7404    0.9497   -0.7856 C   0  0  0  0  0
    3.9823    2.2227   -1.6063 C   0  0  0  0  0
    2.5950    2.8601   -1.7469 C   0  0  0  0  0
    2.2839    3.8338   -0.5960 C   0  0  0  0  0
    2.3441    3.1822    0.7925 C   0  0  0  0  0
    1.8936    1.7113    0.7992 C   0  0  0  0  0
    3.7107    3.2759    1.2637 O   0  0  0  0  0
    3.8883    3.4336    2.6065 C   0  0  0  0  0
    2.9840    3.4638    3.4323 O   0  0  0  0  0
    5.3572    3.5567    2.9609 C   0  0  0  0  0
    6.0831    2.2674    2.5552 C   0  0  0  0  0
    7.4003    2.2125    3.1047 O   0  0  0  0  0
    5.9752    4.8451    2.4305 C   0  0  0  0  0
    5.9826    5.9859    3.2516 C   0  0  0  0  0
    6.5594    7.1793    2.8140 C   0  0  0  0  0
    7.1295    7.2546    1.5463 C   0  0  0  0  0
    7.1112    6.1394    0.7114 C   0  0  0  0  0
    6.5307    4.9455    1.1458 C   0  0  0  0  0
   -0.1909    0.8981   -1.8037 H   0  0  0  0  0
    0.0825    2.3611   -2.7388 H   0  0  0  0  0
   -0.0975    2.4615   -0.9821 H   0  0  0  0  0
    1.8503   -0.0688   -0.4504 H   0  0  0  0  0
    4.0103    0.0756   -1.3909 H   0  0  0  0  0
    4.3482    0.9183    0.1229 H   0  0  0  0  0
    4.7144    2.8855   -1.1357 H   0  0  0  0  0
    4.3783    1.9456   -2.5911 H   0  0  0  0  0
    2.5072    3.3769   -2.7095 H   0  0  0  0  0
    2.9833    4.6779   -0.6423 H   0  0  0  0  0
    1.2815    4.2515   -0.7477 H   0  0  0  0  0
    1.7007    3.7666    1.4638 H   0  0  0  0  0
    2.3446    1.1800    1.6468 H   0  0  0  0  0
    0.8086    1.6768    0.9518 H   0  0  0  0  0
    5.4133    3.6041    4.0579 H   0  0  0  0  0
    6.1571    2.1378    1.4707 H   0  0  0  0  0
    5.5413    1.3952    2.9398 H   0  0  0  0  0
    7.8863    2.9940    2.7841 H   0  0  0  0  0
    5.5443    5.9517    4.2477 H   0  0  0  0  0
    6.5639    8.0501    3.4638 H   0  0  0  0  0
    7.5831    8.1820    1.2072 H   0  0  0  0  0
    7.5485    6.2016   -0.2832 H   0  0  0  0  0
    6.5220    4.1024    0.4596 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  9  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
  8 33  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 16  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15 39  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 18 19  2  0  0  0
 18 41  1  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 20 21  2  0  0  0
 20 43  1  0  0  0
 21 44  1  0  0  0
M  END

>  <Chemical Name>
L-Hyoscyamine

>  <PubChem CID>
3661

>  <Formula>
C17H23NO3

>  <Molecular Weight>
289.375000

>  <IUPAC Name>
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate

>  <XlogP>
1.800

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3

>  <Isomeric SMILES>
CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3

>  <InChI Key>
RKUNBYITZUJHSG-UHFFFAOYSA-N

