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LITHIUM_AURISTATIN_TP
SpectraBase Compound ID KJmlbtaOcKW
InChI InChI=1S/C39H68N5O10P.2Li/c1-13-26(6)35(43(10)39(48)33(24(2)3)41-38(47)34(25(4)5)42(8)9)31(52-11)23-32(45)44-22-14-15-30(44)36(53-12)27(7)37(46)40-21-20-28-16-18-29(19-17-28)54-55(49,50)51;;/h16-19,24-27,30-31,33-36H,13-15,20-23H2,1-12H3,(H,40,46)(H,41,47)(H2,49,50,51);;/q;2*+1/p-2/t26-,27+,30-,31+,33-,34-,35-,36+;;/m0../s1
InChIKey PHKRCIJDJGDRLH-XAUFUAKXSA-L
Mol Weight 809.84 g/mol
Molecular Formula C39H66Li2N5O10P
Exact Mass 809.486737 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CevWKljpibo
Name LITHIUM_AURISTATIN_TP
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H66Li2N5O10P
InChI InChI=1S/C39H68N5O10P.2Li/c1-13-26(6)35(43(10)39(48)33(24(2)3)41-38(47)34(25(4)5)42(8)9)31(52-11)23-32(45)44-22-14-15-30(44)36(53-12)27(7)37(46)40-21-20-28-16-18-29(19-17-28)54-55(49,50)51;;/h16-19,24-27,30-31,33-36H,13-15,20-23H2,1-12H3,(H,40,46)(H,41,47)(H2,49,50,51);;/q;2*+1/p-2/t26-,27+,30-,31+,33-,34-,35-,36+;;/m0../s1
InChIKey PHKRCIJDJGDRLH-XAUFUAKXSA-L
Literature Reference Author G.R.PETTIT,F.HOGAN,S.TOMS
Literature Reference Citation J.NAT.PROD.,74,962(2011)
Literature Reference DOI 10.1021/np1007334
Solvent CD3OD
Source File Reference UWMZ38050