
 MLS002320705

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M  END

>  <Chemical Name>
MLS002320705

>  <PubChem CID>
44246524

>  <Formula>
C35H49NO10

>  <Molecular Weight>
643.774000

>  <IUPAC Name>


>  <XlogP>
1.100

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)OC7C(C(C(C(O7)C(=O)O)O)O)O)O4)CC8CC8)OC)O

>  <Isomeric SMILES>
CC(C)(C)C(C)(C1CC23CCC1(C4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)OC7[C@@H](C([C@@H](C(O7)C(=O)O)O)O)O)O4)CC8CC8)OC)O

>  <InChI Std. ID>
InChI=1S/C35H49NO10/c1-31(2,3)32(4,42)20-15-33-10-11-35(20,43-5)30-34(33)12-13-36(16-17-6-7-17)21(33)14-18-8-9-19(26(46-30)22(18)34)44-29-25(39)23(37)24(38)27(45-29)28(40)41/h8-9,17,20-21,23-25,27,29-30,37-39,42H,6-7,10-16H2,1-5H3,(H,40,41)/t20?,21-,23?,24+,25-,27?,29?,30?,32?,33?,34+,35?/m1/s1

>  <InChI Key>
CZULHKGIAJASAA-WJVLGYIRSA-N

