20:5 Cholesteryl ester
From DrugPedia: A Wikipedia for Drug discovery
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==Description== | ==Description== | ||
+ | [http://crdd.osdd.net/raghava/hmrbase/test_extract.php?&db=arun&table=nphormonet&id=1316&show=SHOW-3D Show 3-D Structure] | ||
==General Properties== | ==General Properties== | ||
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Current revision
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Contents |
[edit] Description
[edit] General Properties
*Molecular Weight
671.09
*Molecular Formula
C47H74O2
*IUPAC NAME
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl](5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
*Canonical Smiles
CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
*Isomeric Smiles
CCC=C/CC=C/CC=C/CC=C/CC=C/CCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
[edit] PhysioChemical Properties
*Melting Point
*LogP
*Water Solubility