Chemical Forums
Chemistry Forums for Students => Organic Chemistry Forum => Topic started by: newcastler on January 20, 2006, 12:24:23 AM
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Hi I am searching high and low for the chemical named balanol with CAS number of 63590-19-2. However, I cannot find it in most chemical supplier websites. The last one quote me $3000 USD for 1 milligram. Please *delete me*!
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What's the chemical structure? You can use the chmoogle box to search it, if you can draw it.
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here is the structure if you want to try....
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The last one quote me $3000 USD for 1 milligram
What about synthesising it for yourself?
Or you could look up the synthesis and contact the authors and see if they can supply you.
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Mike: How did you get that structure?
The SMILES code was O=C(O)c1cccc(O)c1C(=O)c4c(O)cc(C(=O)O[C@@H]2CCCNCC2NC(=O)c3ccc(O)cc3)cc4O for anyone interested in such nerdy affairs. :P
newcastler: Here is a link, maybe it'll help http://www.chmoogle.com/cgi-bin/search?t=ex&q=Oc1ccc%28cc1%29C%28%3DO%29NC1CNCCCC1OC%28%3DO%29c1cc%28O%29c%28c%28O%29c1%29C%28%3DO%29c1c%28O%29cccc1C%28%3DO%29O (http://www.chmoogle.com/cgi-bin/search?t=ex&q=Oc1ccc%28cc1%29C%28%3DO%29NC1CNCCCC1OC%28%3DO%29c1cc%28O%29c%28c%28O%29c1%29C%28%3DO%29c1c%28O%29cccc1C%28%3DO%29O)
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Googled it, then drew it, then stuck in in this post :)
I also found some articles on it....
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I cant seem to draw the structure. First time using such things. I got stuck at the part where there are 2 OH groups sticking out. Is there any good chemical supplier websites that can be recommended to search for this compound?
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What country are you in and how much do you need? Are you in a lab where you could synthesise it yourself?
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I am in Singapore. And I am a research student. I am afraid that the synthesis of this compound may be beyond my capabilities for now as I do not have time and money. I am concurrently trying to find out the active compounds in some fungis. And balanol is one item we are interested in detecting.
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A well calibrated mass spectrometer could detect it without the need of a standard. What instrument are you trying to detect it with?
Also, most papers will say where they got their chemicals from. Have you seen where others in the literature got their balanol?
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Mike: And I thought you knew of some cool chemical structures database where you could look up any named compound you want. Apparently, you do and its called google. :P
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you mean GC-MS? I am trying to use this machine to detect certain compounds. However, I m dealing with complex extract as I am extracting them from fungi. So I am afraid the other compounds in the extract might hinder the detection.
I am looking very hard into the papers for the balanol now as well. Hopefully I get some answers soon.
I was thinking if I can get hold of the balanol standard, then I can use HPLC to detect and hopefully quantify the amount present. This seems easier to do compared to GC-MS where I will need a derivatization step. Am I correct?
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Mitch: yes I am a simple man with simple ideas. :)
Newcastler: What about my suggestion of contacting someone at another institute and seeing if they could suppliy a small amount for a standard?
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I am currently searching through the journals and emailing the authors, cross my fingers and hope they will reply.
Anyway, can i continue in this tread and ask question regarding the analysis part of my project?
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Hello again, I manage to contact a supplier and he mentioned that they have a racemic mixture of balanol. And from the CAS number I given them, they say what I needed was a disasteromer.
This is the first time that I came across the racemic term. Dictionary says that is is "relating to a chemical compound that contains equal quantities of dextrorotatory and levorotatory forms and therefore does not rotate the plane of incident polarized light."
In this case, can it still be detected by HPLC-UV? As I said, I need to use this as a standard to detect and quantify balanol in my sample.
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Yes, you can see in the diagram above that there are two chiral carbons in the molecule.
I think this is the (-)-balanol which is the one you want (I think)
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But what is the difference between the 2?
So I can use the racemic mixture to detect for balanol in my samples using HPLC?
Sorry abit confuse and panicky right now.
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One will rotate the plane polarised light clockwise the other will rotate it anti-clockwise.
Also often only one isomer of a compound will be biologically active, in this case I would guess that whatever the (-)-balanol does the (+)-balanol doesn't do, biologically.
As far as HPLC is concerned you may want to wait for a reply from someone with more knowledge on the topic than myself. I would presume though that you could separate isomers using HPLC (I don't know the details) in which case there would be a different standard for each isomer. This doesn't mean you could use the racemic mixture though.