
 MLS000829697

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M  END

>  <Chemical Name>
MLS000829697

>  <PubChem CID>
16759761

>  <Formula>
C30H29N3O8

>  <Molecular Weight>
559.575000

>  <IUPAC Name>


>  <XlogP>
2.800

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CC#CCN1C2C(=C(N=C3C2(CC(N3C(=O)C4=C(OC(=C4)C)C)C(=O)OC)C5=CC=CC=C51)C(=O)OC)C(=O)OC

>  <Isomeric SMILES>
CC#CCN1[C@H]2C(=C(N=C3[C@@]2(C[C@H](N3C(=O)C4=C(OC(=C4)C)C)C(=O)OC)C5=CC=CC=C51)C(=O)OC)C(=O)OC

>  <InChI Std. ID>
InChI=1S/C30H29N3O8/c1-7-8-13-32-20-12-10-9-11-19(20)30-15-21(26(35)38-4)33(25(34)18-14-16(2)41-17(18)3)29(30)31-23(28(37)40-6)22(24(30)32)27(36)39-5/h9-12,14,21,24H,13,15H2,1-6H3/t21-,24-,30-/m0/s1

>  <InChI Key>
AAEQYZNWJLCHTR-DHXKCHKJSA-N

