
 CHEMBL1834895

107121  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1834895

>  <PubChem CID>
56679791

>  <Formula>
C44H51N3O9

>  <Molecular Weight>
765.904000

>  <IUPAC Name>


>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
12

>  <Canonical SMILES>
C1CC1CN2CCC34C5C6(CCC3(C2CC7=C4C(=C(C=C7)O)O5)O)C8N9C(CO8)OC1(C9O6)CCC2(C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3CC1CC1)O

>  <Isomeric SMILES>
C1CC1CN2CC[C@]34[C@@H]5[C@@]6(CC[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)[C@H]8N9[C@H](CO8)O[C@@]1([C@@H]9O6)CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC1CC1)O

>  <InChI Std. ID>
InChI=1S/C44H51N3O9/c48-26-7-5-24-17-28-43(50)11-9-41(35-39(43,31(24)33(26)53-35)13-15-45(28)19-22-1-2-22)37-47-30(21-52-37)55-42(38(47)56-41)10-12-44(51)29-18-25-6-8-27(49)34-32(25)40(44,36(42)54-34)14-16-46(29)20-23-3-4-23/h5-8,22-23,28-30,35-38,48-51H,1-4,9-21H2/t28-,29-,30+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-/m1/s1

>  <InChI Key>
AHYZREWYCWOKMD-KAEFNMNLSA-N

