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SYMPLOCIN_A
SpectraBase Compound ID AbjyPXN1DKD
InChI InChI=1S/C56H86N8O14/c1-13-35(8)48(62(9)10)56(76)78-49(34(6)7)53(73)59-40(27-37-21-23-38(66)24-22-37)50(70)60-41(31-65)51(71)58-39(26-32(2)3)44(67)29-45(68)61-47(33(4)5)52(72)57-30-46(69)63(11)43(28-36-18-15-14-16-19-36)54(74)64-25-17-20-42(64)55(75)77-12/h14-16,18-19,21-24,32-35,39-44,47-49,65-67H,13,17,20,25-31H2,1-12H3,(H,57,72)(H,58,71)(H,59,73)(H,60,70)(H,61,68)/t35-,39+,40+,41+,42+,43-,44-,47+,48+,49-/m1/s1
InChIKey NDLHEZRABDBDPY-OKEANDLPSA-N
Mol Weight 1095.3 g/mol
Molecular Formula C56H86N8O14
Exact Mass 1094.626349 g/mol
Enantiomer InChIKey NDLHEZRABDBDPY-OHUHEDMHSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3CN
Title Journal or Book Year
Symplocin A, a Linear Peptide from the Bahamian Cyanobacterium Symploca sp. Configurational Analysis of N,N-Dimethylamino Acids by Chiral-Phase HPLC of Naphthacyl Esters Journal of Natural Products 2012

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