
 CHEMBL159189

 74 76  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL159189

>  <PubChem CID>
44373048

>  <Formula>
C26H43NO4

>  <Molecular Weight>
433.633000

>  <IUPAC Name>
[(2S,3R,4R,4aS,8aR)-3-[(1S)-1-acetyloxyethyl]-4-[(E)-2-[(2R,6S)-1,6-dimethylpiperidin-2-yl]ethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methyl acetate

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CCCC(N1C)C=CC2C3CCCCC3CC(C2C(C)OC(=O)C)COC(=O)C

>  <Isomeric SMILES>
C[C@H]1CCC[C@@H](N1C)/C=C/[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]([C@@H]2[C@H](C)OC(=O)C)COC(=O)C

>  <InChI Std. ID>
InChI=1S/C26H43NO4/c1-17-9-8-11-23(27(17)5)13-14-25-24-12-7-6-10-21(24)15-22(16-30-19(3)28)26(25)18(2)31-20(4)29/h13-14,17-18,21-26H,6-12,15-16H2,1-5H3/b14-13+/t17-,18-,21+,22+,23+,24-,25+,26-/m0/s1

>  <InChI Key>
BSVCBQHCZRIFBJ-GQNHTAFJSA-N

