Brassicasterol

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==Description==
==Description==
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[http://crdd.osdd.net/raghava/hmrbase/test_extract.php?&db=arun&table=nphormonet&id=1219&show=SHOW-3D Show 3-D Structure]
==General Properties==
==General Properties==

Revision as of 11:47, 19 February 2009

Contents

Description

Show 3-D Structure

General Properties

*Molecular Weight

398.66

*Molecular Formula

C28H46O

*IUPAC NAME

(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

*Canonical Smiles

CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

*Isomeric Smiles

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


PhysioChemical Properties

*Melting Point


*LogP


*Water Solubility


External Links

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


Categories:Hormones