21-deoxycortisol
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*[http://www.hmdb.ca/metabolites/HMDB04030]Human Metabolome DataBase | *[http://www.hmdb.ca/metabolites/HMDB04030]Human Metabolome DataBase | ||
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Current revision
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Contents |
[edit] Description
RN given refers to (11beta)-isomer; structure
[edit] General Properties
*Molecular Weight
346.46
*Molecular Formula
C21H30O4
*IUPAC NAME
(8S,9S,10R,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
*Canonical Smiles
CC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)O
*Isomeric Smiles
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O
[edit] PhysioChemical Properties
*Melting Point
*LogP
*Water Solubility