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STYLOSTATIN-1;CYCLO-[LEU-ALA-ILE-PRO-PHE-ASN-SER]
SpectraBase Compound ID G1e43Cqwh1Q
InChI InChI=1S/C36H54N8O9/c1-6-20(4)29-36(53)44-14-10-13-27(44)35(52)41-24(16-22-11-8-7-9-12-22)32(49)40-25(17-28(37)46)33(50)42-26(18-45)34(51)39-23(15-19(2)3)31(48)38-21(5)30(47)43-29/h7-9,11-12,19-21,23-27,29,45H,6,10,13-18H2,1-5H3,(H2,37,46)(H,38,48)(H,39,51)(H,40,49)(H,41,52)(H,42,50)(H,43,47)/t20-,21+,23+,24+,25+,26+,27+,29+/m1/s1
InChIKey JSLJRLSXMPKMLE-GTHKCQHDSA-N
Mol Weight 742.9 g/mol
Molecular Formula C36H54N8O9
Exact Mass 742.401375 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KW3PEg1Zv3e
Name STYLOSTATIN-1;CYCLO-[LEU-ALA-ILE-PRO-PHE-ASN-SER]
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H54N8O9
InChI InChI=1S/C36H54N8O9/c1-6-20(4)29-36(53)44-14-10-13-27(44)35(52)41-24(16-22-11-8-7-9-12-22)32(49)40-25(17-28(37)46)33(50)42-26(18-45)34(51)39-23(15-19(2)3)31(48)38-21(5)30(47)43-29/h7-9,11-12,19-21,23-27,29,45H,6,10,13-18H2,1-5H3,(H2,37,46)(H,38,48)(H,39,51)(H,40,49)(H,41,52)(H,42,50)(H,43,47)/t20-,21+,23+,24+,25+,26+,27+,29+/m1/s1
InChIKey JSLJRLSXMPKMLE-GTHKCQHDSA-N
Literature Reference Author G.R.PETTIT,J.K.SRIRANGAM,D.L.HERALD,K.L.ERICKSON,D.L.DOUBEK, J.M.SCHMIDT,L.P.TACK
Literature Reference Citation J.ORG.CHEM.,57,7217(1992)
Literature Reference DOI 10.1021/jo00052a041
Molecular Weight 742.873 g/mol
Solvent DMSO-D6
Source File Reference UWCS6319