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GYPSOPHIN-C;CYCLO-[PROLINE(1)-GLYCINE(2)-ISOLEUCINE(3)-PHENYLALANINE(4)-THREONINE(5)-ISOLEUCINE(6)-ISOLEUCINE(7)-THREONINE(8)]
SpectraBase Compound ID 8PsnEx65nLW
InChI InChI=1S/C42H66N8O10/c1-9-22(4)31-38(56)44-28(20-27-16-13-12-14-17-27)36(54)48-34(25(7)51)41(59)47-32(23(5)10-2)39(57)46-33(24(6)11-3)40(58)49-35(26(8)52)42(60)50-19-15-18-29(50)37(55)43-21-30(53)45-31/h12-14,16-17,22-26,28-29,31-35,51-52H,9-11,15,18-21H2,1-8H3,(H,43,55)(H,44,56)(H,45,53)(H,46,57)(H,47,59)(H,48,54)(H,49,58)/t22?,23?,24?,25?,26?,28-,29-,31-,32-,33-,34-,35-/m0/s1
InChIKey CFOAEEZZBQOFRX-GOOMSJOASA-N
Mol Weight 843.0 g/mol
Molecular Formula C42H66N8O10
Exact Mass 842.49019 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CVPkOj2G2eS
Name GYPSOPHIN-C;CYCLO-[PROLINE(1)-GLYCINE(2)-ISOLEUCINE(3)-PHENYLALANINE(4)-THREONINE(5)-ISOLEUCINE(6)-ISOLEUCINE(7)-THREONINE(8)]
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H66N8O10
InChI InChI=1S/C42H66N8O10/c1-9-22(4)31-38(56)44-28(20-27-16-13-12-14-17-27)36(54)48-34(25(7)51)41(59)47-32(23(5)10-2)39(57)46-33(24(6)11-3)40(58)49-35(26(8)52)42(60)50-19-15-18-29(50)37(55)43-21-30(53)45-31/h12-14,16-17,22-26,28-29,31-35,51-52H,9-11,15,18-21H2,1-8H3,(H,43,55)(H,44,56)(H,45,53)(H,46,57)(H,47,59)(H,48,54)(H,49,58)/t22?,23?,24?,25?,26?,28-,29-,31-,32-,33-,34-,35-/m0/s1
InChIKey CFOAEEZZBQOFRX-GOOMSJOASA-N
Literature Reference Author G.WANG,J.G.LUO,M.H.YANG,X.B.WANG,L.Y.KONG
Literature Reference Citation CHEM.PHARM.BULL.,61,489(2013)
Literature Reference DOI 10.1248/cpb.c12-01094
Molecular Weight 843.034 g/mol
Source File Reference UWBT4926