16alpha-hydroxypregnenolone
From DrugPedia: A Wikipedia for Drug discovery
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==Description== | ==Description== | ||
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RN given refers to (3beta,16alpha)-isomer | RN given refers to (3beta,16alpha)-isomer | ||
==General Properties== | ==General Properties== | ||
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*[http://www.hmdb.ca/metabolites/HMDB00315]Human Metabolome DataBase | *[http://www.hmdb.ca/metabolites/HMDB00315]Human Metabolome DataBase | ||
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Current revision
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Contents |
[edit] Description
RN given refers to (3beta,16alpha)-isomer
[edit] General Properties
*Molecular Weight
332.48
*Molecular Formula
C21H32O3
*IUPAC NAME
1-[(3S,8S,9S,10R,13S,14S,16R,17R)-3,16-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
*Canonical Smiles
CC(=O)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O
*Isomeric Smiles
CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O
[edit] PhysioChemical Properties
*Melting Point
*LogP
*Water Solubility
