Beta-Cortol

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==Description==
==Description==
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[http://crdd.osdd.net/raghava/hmrbase/test_extract.php?&db=arun&table=nphormonet&id=1261&show=SHOW-3D Show 3-D Structure]
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structure given in first source
structure given in first source
==General Properties==
==General Properties==

Revision as of 13:12, 19 February 2009

Contents

Description

Show 3-D Structure

structure given in first source

General Properties

*Molecular Weight

368.51

*Molecular Formula

C27H44O11

*IUPAC NAME

(2S,3S,4R,5R,6R)-6-[(10S,11R,13S,17R)-17-[(1S)-1,2-dihydroxyethyl]-11,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

*Canonical Smiles

CC12CCC(CC1CCC3C2C(CC4(C3CCC4(C(CO)O)O)C)O)C5(C(C(C(C(O5)C(=O)O)O)O)O)O

*Isomeric Smiles

C[C@]12CCC(CC1CCC3C2[C@@H](C[C@]4(C3CC[C@@]4([C@H](CO)O)O)C)O)[C@@]5([C@@H]([C@@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O


PhysioChemical Properties

*Melting Point


*LogP


*Water Solubility


External Links

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


Categories:Hormones