SpectraBase Compound ID | KJmlbtaOcKW |
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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 |
SpectraBase Spectrum ID | CevWKljpibo |
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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 |