| SpectraBase Compound ID | 6LlR1P1vTiV |
|---|---|
| InChI | InChI=1S/C39H68N5O10P.2K/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 | CCHRTKGXNUKCSI-XAUFUAKXSA-L |
| Mol Weight | 874.1524 g/mol |
| Molecular Formula | C39H66K2N5O10P |
| Exact Mass | 873.382143 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ct1gtAI1eQo |
|---|---|
| Name | POTASSIUM_AURISTATIN_TP |
| Compound Number | 3C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H66K2N5O10P |
| InChI | InChI=1S/C39H68N5O10P.2K/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 | CCHRTKGXNUKCSI-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 | UWMZ38052 |