3,7,12-trihydroxycholestan-26-al
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=1252&show=SHOW-3D Show 3-D Structure] | ||
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structure in first source | structure in first source | ||
==General Properties== | ==General Properties== | ||
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Current revision
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Contents |
[edit] Description
structure in first source
[edit] General Properties
*Molecular Weight
434.65
*Molecular Formula
C27H46O4
*IUPAC NAME
(6R)-2-methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanal
*Canonical Smiles
CC(CCCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C)C=O
*Isomeric Smiles
CC(CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C)C=O
[edit] PhysioChemical Properties
*Melting Point
*LogP
*Water Solubility