
 120373-24-2

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   12.2087    9.8832   -0.2924 H   0  0  0  0  0
   11.3182    9.8858    1.2415 H   0  0  0  0  0
   13.1814    8.8911    2.1934 H   0  0  0  0  0
   11.8950    6.8986    2.1325 H   0  0  0  0  0
   14.3821    6.0899    0.5159 H   0  0  0  0  0
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   13.6910    4.4567    3.6213 H   0  0  0  0  0
   15.8883    6.2609    4.8527 H   0  0  0  0  0
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M  END

>  <Chemical Name>
120373-24-2

>  <PubChem CID>
3777

>  <Formula>
C25H44O5

>  <Molecular Weight>
424.622000

>  <IUPAC Name>
propan-2-yl 7-[3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoate

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCCCCCC(=O)CCC1C(CC(C1CC=CCCCC(=O)OC(C)C)O)O

>  <Isomeric SMILES>
CCCCCCCC(=O)CCC1C(CC(C1CC=CCCCC(=O)OC(C)C)O)O

>  <InChI Std. ID>
InChI=1S/C25H44O5/c1-4-5-6-7-10-13-20(26)16-17-22-21(23(27)18-24(22)28)14-11-8-9-12-15-25(29)30-19(2)3/h8,11,19,21-24,27-28H,4-7,9-10,12-18H2,1-3H3

>  <InChI Key>
XXUPXHKCPIKWLR-UHFFFAOYSA-N

