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Offline bubblegumpi

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Name that molecule
« on: May 15, 2017, 11:40:37 AM »
Heres a fun one to name:
















Answer:

Raspberry ellagitannin which as we all know is called:
Quote
(10aR,11S,12aR,25aR,25bS)-23-{[(10aR,11S,12aR,25aR,25bS)-2,3,4,5,6,7,17,18,19,20,21,22-Dodecahydroxy-9,15,24,27-tetraoxo-9,10a,11,12a,13,15,24,25a,25b,27-decahydrodibenzo[g,i]dibenzo[6’,7’:8’,9’][1,4]dioxecino[2’,3’:4,5]pyrano[3,2-b][1,5]dioxacycloundecin-11-yl]oxy}-2,3,4,5,6,7,17,18,19,20,21,22-dodecahydroxy-9,15,24,27-tetraoxo-9,10a,11,12a,13,15,24,25a,25b,27-decahydrodibenzo[g,i]dibenzo[6’,7’:8’,9’][1,4]dioxecino[2’,3’:4,5]pyrano[3,2-b][1,5]dioxacycloundecin-11-yl 3-({(10aR,11S,12aR,25aR,25bS)-2,3,4,5,6,7,17,18,19,20,21,22-dodecahydroxy-9,15,24,27-tetraoxo-11-[(3,4,5-trihydroxybenzoyl)oxy]-9,10a,11,12a,13,15,24,25a,25b,27-decahydrodibenzo[g,i]dibenzo[6’,7’:8’,9’][1,4]dioxecino[2’,3’:4,5]pyrano[3,2-b][1,5]dioxacycloundecin-23-yl}oxy)-4,5-dihydroxybenzoate

When you name this where do you even start? As someone who is still studying chemistry how much chemistry would you need to know to name this? Could some one who has a four year degree do it?

But seriously I would like to know how to do this. What do the "aR" and "aS" after the carbon number mean? How do you know what ring you are on or which one to start from?
Are the chair isomers in this a permanent state of those rings or is that just to make the schematic work; like how some of the bond between rings are longer in the picture when in real life they are the same size (I think?).
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Offline mjc123

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Re: Name that molecule
« Reply #1 on: May 15, 2017, 01:13:01 PM »
Quote
Could some one who has a four year degree do it?
I have, and I can't! There are computer programs that can do this sort of thing for you now.

I think if you don't know whether butyl is a compound or a radical, you need to concentrate on the basics first!

Offline wildfyr

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Re: Name that molecule
« Reply #2 on: May 15, 2017, 01:56:54 PM »
Even the most experienced human being would likely takes weeks at a minimum to come up with the correct name.

No the chair conformation of these is not permanents, the rings are in dynamic equilibrium with other conformations. Also, yes it helps make the picture work.

I'm not familiar with aR, aS but I bet its specific to sugar chemistry

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