3beta,15beta,17alpha-Trihydroxy-5-pregnen-20-one

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Contents

[edit] Description

Show 3-D Structure

found in urine of newborn infants

[edit] General Properties

*Molecular Weight

348.48

*Molecular Formula

C21H32O4

*IUPAC NAME

1-[(3S,8R,9S,10R,13S,14S,15R,17R)-3,15,17-trihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone

*Canonical Smiles

CC(=O)C1(CC(C2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O)O

*Isomeric Smiles

CC(=O)[C@]1(C[C@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)O


[edit] PhysioChemical Properties

*Melting Point


*LogP


*Water Solubility


[edit] External Links

  • [1]Pubchem
  • [2]Human Metabolome DataBase
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