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DELAVAYIN-C;CYClO-(-GLY-TYR-TYR-TYR-PRO-VAL-PRO-)
SpectraBase Compound ID 484jBErlVc8
InChI InChI=1S/C44H53N7O10/c1-25(2)38-44(61)51-20-3-5-35(51)41(58)45-24-37(55)46-32(21-26-7-13-29(52)14-8-26)39(56)47-33(22-27-9-15-30(53)16-10-27)40(57)48-34(23-28-11-17-31(54)18-12-28)43(60)50-19-4-6-36(50)42(59)49-38/h7-18,25,32-36,38,52-54H,3-6,19-24H2,1-2H3,(H,45,58)(H,46,55)(H,47,56)(H,48,57)(H,49,59)/t32-,33-,34-,35-,36-,38-/m0/s1
InChIKey FTMUUEDUOVORQE-WUNUBKHMSA-N
Mol Weight 839.9 g/mol
Molecular Formula C44H53N7O10
Exact Mass 839.385391 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LVMrpRhDCwV
Name DELAVAYIN-C;CYClO-(-GLY-TYR-TYR-TYR-PRO-VAL-PRO-)
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H53N7O10
InChI InChI=1S/C44H53N7O10/c1-25(2)38-44(61)51-20-3-5-35(51)41(58)45-24-37(55)46-32(21-26-7-13-29(52)14-8-26)39(56)47-33(22-27-9-15-30(53)16-10-27)40(57)48-34(23-28-11-17-31(54)18-12-28)43(60)50-19-4-6-36(50)42(59)49-38/h7-18,25,32-36,38,52-54H,3-6,19-24H2,1-2H3,(H,45,58)(H,46,55)(H,47,56)(H,48,57)(H,49,59)/t32-,33-,34-,35-,36-,38-/m0/s1
InChIKey FTMUUEDUOVORQE-WUNUBKHMSA-N
Literature Reference Author H.MORITA,T.KAYASHITA,A.UCHIDA,K.TAKEYA,H.ITOKAWA
Literature Reference Citation J.NAT.PROD.,60,212(1997)
Literature Reference DOI 10.1021/np960616v
Molecular Weight 839.946 g/mol
Solvent PYRIDINE-D5
Source File Reference UWCP113