
 BDBM50290388

 63 69  0  0  0  0  0  0  0  0999 V2000
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    2.0286    0.9424    0.4440 H   0  0  0  0  0
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    7.8390   -3.7963   -0.3002 H   0  0  0  0  0
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M  END

>  <Chemical Name>
BDBM50290388

>  <PubChem CID>
11744078

>  <Formula>
C28H30N2O3

>  <Molecular Weight>
442.559000

>  <IUPAC Name>


>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCOC12CC3=C(C4(C15CCN(C2CC6=C5C(=C(C=C6)O)O4)CC=C)C)NC7=CC=CC=C37

>  <Isomeric SMILES>
CCO[C@@]12CC3=C([C@]4([C@@]15CCN(C2CC6=C5C(=C(C=C6)O)O4)CC=C)C)NC7=CC=CC=C37

>  <InChI Std. ID>
InChI=1S/C28H30N2O3/c1-4-13-30-14-12-27-23-17-10-11-21(31)24(23)33-26(27,3)25-19(18-8-6-7-9-20(18)29-25)16-28(27,32-5-2)22(30)15-17/h4,6-11,22,29,31H,1,5,12-16H2,2-3H3/t22?,26-,27-,28+/m0/s1

>  <InChI Key>
DGQGMYGYVZPSDF-OZCDKMRVSA-N

