
 CHEMBL134201

 59 65  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL134201

>  <PubChem CID>
44354634

>  <Formula>
C27H26FNO4

>  <Molecular Weight>
447.506000

>  <IUPAC Name>
(4aS,6Z,7aR)-3-(cyclopropylmethyl)-6-[(4-fluorophenyl)methylidene]-4a,9-dihydroxy-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one

>  <XlogP>
4.100

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC1CN2CCC34C5C(=O)C(=CC6=CC=C(C=C6)F)CC3(C2CC7=C4C(=C(C=C7)O)O5)O

>  <Isomeric SMILES>
C1CC1CN2CCC34[C@@H]5C(=O)/C(=C\C6=CC=C(C=C6)F)/C[C@]3(C2CC7=C4C(=C(C=C7)O)O5)O

>  <InChI Std. ID>
InChI=1S/C27H26FNO4/c28-19-6-3-15(4-7-19)11-18-13-27(32)21-12-17-5-8-20(30)24-22(17)26(27,25(33-24)23(18)31)9-10-29(21)14-16-1-2-16/h3-8,11,16,21,25,30,32H,1-2,9-10,12-14H2/b18-11-/t21?,25-,26?,27+/m0/s1

>  <InChI Key>
AWAQOPSDMCQZAA-PELWEAFXSA-N

