3,7,12-trihydroxycholestan-26-al

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==Description==
==Description==
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[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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[[Categories:Hormones]]
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[[Category:Hormones]]
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[[Category:HMRbase]]

Current revision

Contents

[edit] Description

Show 3-D Structure

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


[edit] External Links

  • [1]Pubchem
  • [2]KEGG Compound
  • [3]Human Metabolome DataBase