17, 21-dihydroxypregnenolone
From DrugPedia: A Wikipedia for Drug discovery
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==Description== | ==Description== | ||
+ | [http://172.141.127.22/raghava/hmrbase/test_extract.php?db=arun&table=nphormonet&id=1169&show=SHOW-3D Show 3-D Structure] | ||
==General Properties== | ==General Properties== |
Revision as of 10:23, 19 February 2009
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Contents |
Description
General Properties
*Molecular Weight
348.48
*Molecular Formula
C21H32O4
*IUPAC NAME
1-[(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone
*Canonical Smiles
CC12CCC(CC1=CCC3C2CCC4(C3CCC4(C(=O)CO)O)C)O
*Isomeric Smiles
C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O
PhysioChemical Properties
*Melting Point
*LogP
*Water Solubility