| SpectraBase Compound ID | DUA7nmQhs8y |
|---|---|
| InChI | InChI=1S/C59H91N7O12P/c1-15-38(7)54(63(11)59(71)52(36(3)4)61-58(70)53(37(5)6)62(9)10)50(75-13)34-51(67)65-29-17-18-48(65)56(76-14)39(8)57(69)60-28-25-40-19-21-43(22-20-40)77-79(72,73)78-66-31-27-45(46-33-44(74-12)23-24-47(46)66)55(68)49-32-42-26-30-64(49)35-41(42)16-2/h16,19-24,27,31,33,36-39,41-42,48-50,52-56,68H,2,15,17-18,25-26,28-30,32,34-35H2,1,3-14H3,(H,60,69)(H,61,70)(H,72,73)/t38-,39+,41+,42?,48-,49-,50+,52-,53-,54-,55+,56+/m0/s1 |
| InChIKey | XNIQGPHEGVLYOC-CKEXNRLZSA-N |
| Mol Weight | 1121.4 g/mol |
| Molecular Formula | C59H91N7O12P |
| Exact Mass | 1120.646333 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9GJZOGdiV9F |
|---|---|
| Name | QUININE_AURISTATIN_TP |
| Compound Number | 3E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H90N7O12P |
| InChI | InChI=1S/C59H91N7O12P/c1-15-38(7)54(63(11)59(71)52(36(3)4)61-58(70)53(37(5)6)62(9)10)50(75-13)34-51(67)65-29-17-18-48(65)56(76-14)39(8)57(69)60-28-25-40-19-21-43(22-20-40)77-79(72,73)78-66-31-27-45(46-33-44(74-12)23-24-47(46)66)55(68)49-32-42-26-30-64(49)35-41(42)16-2/h16,19-24,27,31,33,36-39,41-42,48-50,52-56,68H,2,15,17-18,25-26,28-30,32,34-35H2,1,3-14H3,(H,60,69)(H,61,70)(H,72,73)/t38-,39+,41+,42?,48-,49-,50+,52-,53-,54-,55+,56+/m0/s1 |
| InChIKey | XNIQGPHEGVLYOC-CKEXNRLZSA-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 | UWMZ38054 |