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PHAKELLISTATIN_14;PHE-BETA-O-ME-ASP-ALA-(1)-MET-(SO)-ALA-(2)-ILE-PRO;CHIRAL_A
SpectraBase Compound ID GIt0kYZxjmy
InChI InChI=1S/C36H53N7O10S/c1-7-20(2)29-36(51)43-16-11-14-27(43)35(50)41-25(18-23-12-9-8-10-13-23)34(49)40-26(19-28(44)53-5)33(48)38-21(3)30(45)39-24(15-17-54(6)52)32(47)37-22(4)31(46)42-29/h8-10,12-13,20-22,24-27,29H,7,11,14-19H2,1-6H3,(H,37,47)(H,38,48)(H,39,45)(H,40,49)(H,41,50)(H,42,46)/t20?,21-,22-,24-,25-,26-,27-,29-,54?/m0/s1
InChIKey ZBIJFJOAXJXGTR-DKCBCISTSA-N
Mol Weight 775.9 g/mol
Molecular Formula C36H53N7O10S
Exact Mass 775.357462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1vAnPdhsLSm
Name PHAKELLISTATIN_14;PHE-BETA-O-ME-ASP-ALA-(1)-MET-(SO)-ALA-(2)-ILE-PRO;CHIRAL_B
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H53N7O10S
InChI InChI=1S/C36H53N7O10S/c1-7-20(2)29-36(51)43-16-11-14-27(43)35(50)41-25(18-23-12-9-8-10-13-23)34(49)40-26(19-28(44)53-5)33(48)38-21(3)30(45)39-24(15-17-54(6)52)32(47)37-22(4)31(46)42-29/h8-10,12-13,20-22,24-27,29H,7,11,14-19H2,1-6H3,(H,37,47)(H,38,48)(H,39,45)(H,40,49)(H,41,50)(H,42,46)/t20?,21-,22-,24-,25-,26-,27-,29-,54?/m0/s1
InChIKey ZBIJFJOAXJXGTR-DKCBCISTSA-N
Literature Reference Author G.RPETTIT,R.TAN
Literature Reference Citation J.NAT.PROD.,68,60(2005)
Literature Reference DOI 10.1021/np040092w
Molecular Weight 775.918 g/mol
Solvent CD2Cl2
Source File Reference UWMZ8296