View source

<table align='right' border=1>
<tr><td>
<jmol><jmolApplet>
<size>200</size>
<script>spin on;color atoms amino;</script>
<uploadedFileContents>NPH345.SDF</uploadedFileContents>
<color>black</color>
</jmolApplet>
</jmol>
</td></tr></table>
==Description==
[http://crdd.osdd.net/raghava/hmrbase/test_extract.php?&db=arun&table=nphormonet&id=1245&show=SHOW-3D Show 3-D Structure]

==General Properties==

<b>*Molecular Weight</b>

454.64

<b>*Molecular Formula</b>

C<sub>2</sub><sub>6</sub>H<sub>4</sub><sub>6</sub>O<sub>6</sub>

<b>*IUPAC NAME</b>

(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5,6,7-trihydroxyheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol

<b>*Canonical Smiles</b>

CC(CCC(C(CO)O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

<b>*Isomeric Smiles</b>

C[C@H](CCC(C(CO)O)O)[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


==PhysioChemical Properties==

<b>*Melting Point</b>



<b>*LogP</b>



<b>*Water Solubility</b>



==External Links==
*[http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=196302]Pubchem
*[http://www.hmdb.ca/metabolites/HMDB02157]Human Metabolome DataBase


[[Category:Hormones]]
[[Category:HMRbase]]