
 LEVISOPRENALINE

 32 32  0  0  0  0  0  0  0  0999 V2000
    1.9113    2.0056    3.3479 C   0  0  0  0  0
    2.2326    1.8637    1.8574 C   0  0  0  0  0
    1.0618    2.3995    1.0290 C   0  0  0  0  0
    3.4389    2.6043    1.4575 N   0  0  0  0  0
    4.6710    2.0751    2.0753 C   0  0  0  0  0
    5.9006    2.8492    1.5395 C   0  0  0  0  0
    7.1814    2.4068    2.2141 C   0  0  0  0  0
    8.0439    1.4696    1.6245 C   0  0  0  0  0
    9.2062    1.0704    2.2869 C   0  0  0  0  0
    9.5169    1.5910    3.5422 C   0  0  0  0  0
    8.6707    2.5186    4.1427 C   0  0  0  0  0
    7.5091    2.9234    3.4801 C   0  0  0  0  0
   10.6583    1.1873    4.1759 O   0  0  0  0  0
   10.0491    0.1631    1.7097 O   0  0  0  0  0
    5.9736    2.6784    0.1199 O   0  0  0  0  0
    2.6606    1.5062    3.9699 H   0  0  0  0  0
    0.9442    1.5478    3.5808 H   0  0  0  0  0
    1.8644    3.0578    3.6488 H   0  0  0  0  0
    2.3563    0.8010    1.6139 H   0  0  0  0  0
    0.8843    3.4634    1.2244 H   0  0  0  0  0
    0.1397    1.8579    1.2668 H   0  0  0  0  0
    1.2497    2.2779   -0.0432 H   0  0  0  0  0
    3.3274    3.5863    1.7160 H   0  0  0  0  0
    4.7719    1.0142    1.8141 H   0  0  0  0  0
    4.6302    2.1636    3.1651 H   0  0  0  0  0
    5.7706    3.9251    1.7133 H   0  0  0  0  0
    7.8010    1.0618    0.6474 H   0  0  0  0  0
    8.8967    2.9358    5.1192 H   0  0  0  0  0
    6.8564    3.6507    3.9601 H   0  0  0  0  0
   10.7401    1.6639    5.0156 H   0  0  0  0  0
    9.7370   -0.0212    0.8104 H   0  0  0  0  0
    5.0410    2.6944   -0.1738 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6 15  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 28  1  0  0  0
 12 29  1  0  0  0
 13 30  1  0  0  0
 14 31  1  0  0  0
 15 32  1  0  0  0
M  END

>  <Chemical Name>
LEVISOPRENALINE

>  <PubChem CID>
443372

>  <Formula>
C11H17NO3

>  <Molecular Weight>
211.261000

>  <IUPAC Name>
4-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol

>  <XlogP>
-0.600

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)NCC(C1=CC(=C(C=C1)O)O)O

>  <Isomeric SMILES>
CC(C)NC[C@@H](C1=CC(=C(C=C1)O)O)O

>  <InChI Std. ID>
InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m0/s1

>  <InChI Key>
JWZZKOKVBUJMES-NSHDSACASA-N

