| SpectraBase Compound ID | 8PNkuYtOYLe |
|---|---|
| InChI | InChI=1S/C53H80N5O10P/c1-13-38(6)49(57(10)53(62)47(36(2)3)55-52(61)48(37(4)5)56(8)9)45(64-11)33-46(59)58-32-20-25-44(58)50(65-12)39(7)51(60)54-31-30-40-26-28-43(29-27-40)68-69(63,66-34-41-21-16-14-17-22-41)67-35-42-23-18-15-19-24-42/h14-19,21-24,26-29,36-39,44-45,47-50H,13,20,25,30-35H2,1-12H3,(H,54,60)(H,55,61)/t38-,39+,44-,45+,47-,48-,49-,50+/m0/s1 |
| InChIKey | XHDNXOLPTYOZND-TWUCZHMXSA-N |
| Mol Weight | 978.2 g/mol |
| Molecular Formula | C53H80N5O10P |
| Exact Mass | 977.564281 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 34fofqqq99e |
|---|---|
| Name | _AURISTATIN_TPBENZYLPHOSPHORYLOXY)-PHENETHYLAMIDE;ISOMER_2 |
| Compound Number | 10A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H80N5O10P |
| InChI | InChI=1S/C53H80N5O10P/c1-13-38(6)49(57(10)53(62)47(36(2)3)55-52(61)48(37(4)5)56(8)9)45(64-11)33-46(59)58-32-20-25-44(58)50(65-12)39(7)51(60)54-31-30-40-26-28-43(29-27-40)68-69(63,66-34-41-21-16-14-17-22-41)67-35-42-23-18-15-19-24-42/h14-19,21-24,26-29,36-39,44-45,47-50H,13,20,25,30-35H2,1-12H3,(H,54,60)(H,55,61)/t38-,39+,44-,45+,47-,48-,49-,50+/m0/s1 |
| InChIKey | XHDNXOLPTYOZND-TWUCZHMXSA-N |
| 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 | UWMZ38059 |