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CYCLOMONTANIN-D;CYCLO-(-ASPARAGINYL-PROLYL-GLYCYL-LEUCYL-PROLYL-TYROSINYL-ALANYL-)
SpectraBase Compound ID 5ZQ7bQ6QD4y
InChI InChI=1S/C34H48N8O9/c1-18(2)14-23-33(50)42-13-5-7-26(42)32(49)39-22(15-20-8-10-21(43)11-9-20)30(47)37-19(3)29(46)40-24(16-27(35)44)34(51)41-12-4-6-25(41)31(48)36-17-28(45)38-23/h8-11,18-19,22-26,43H,4-7,12-17H2,1-3H3,(H2,35,44)(H,36,48)(H,37,47)(H,38,45)(H,39,49)(H,40,46)/t19-,22-,23-,24-,25-,26-/m0/s1
InChIKey SRGSUICLJQYQAF-KTHKBMNISA-N
Mol Weight 712.8 g/mol
Molecular Formula C34H48N8O9
Exact Mass 712.354425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1IdJNNP4tUe
Name CYCLOMONTANIN_D;CYCLO-(PRO-(1)-GLY-(2)-LEU-(3)-PRO-(4)-TYR-(5)-ALA-(6)-ASN-(7));ISOMER_2
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H48N8O9
InChI InChI=1S/C34H48N8O9/c1-18(2)14-23-33(50)42-13-5-7-26(42)32(49)39-22(15-20-8-10-21(43)11-9-20)30(47)37-19(3)29(46)40-24(16-27(35)44)34(51)41-12-4-6-25(41)31(48)36-17-28(45)38-23/h8-11,18-19,22-26,43H,4-7,12-17H2,1-3H3,(H2,35,44)(H,36,48)(H,37,47)(H,38,45)(H,39,49)(H,40,46)/t19-,22-,23-,24-,25-,26-/m0/s1
InChIKey SRGSUICLJQYQAF-KTHKBMNISA-N
Literature Reference Author P.H.CHUANG,P.W.HSIEH,Y.L.YANG,K.F.HUA,F.R.CHANG,J.SHIEA,S.H. WU,Y.C.WU
Literature Reference Citation J.NAT.PROD.,71,1365(2008)
Literature Reference DOI 10.1021/np8001282
Molecular Weight 712.803 g/mol
Sample ID 28459
Solvent C5D5N