| SpectraBase Compound ID | LxkoUcc7KJZ |
|---|---|
| InChI | InChI=1S/C47H70N6O10/c1-26(2)36-30(8)46(60)62-31(9)42(56)53-24-16-21-35(53)47(61)63-39(28(5)6)45(59)50(10)38(27(3)4)44(58)52-23-15-20-34(52)41(55)49-37(29(7)25-32-17-12-11-13-18-32)43(57)51-22-14-19-33(51)40(54)48-36/h11-13,17-18,26-31,33-39H,14-16,19-25H2,1-10H3,(H,48,54)(H,49,55)/t29?,30?,31-,33+,34+,35+,36?,37?,38-,39+/m1/s1 |
| InChIKey | JXOFEBNJOOEXJY-YWTJYMSXSA-N |
| Mol Weight | 879.1 g/mol |
| Molecular Formula | C47H70N6O10 |
| Exact Mass | 878.515342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BRIlO9JAzN9 |
|---|---|
| Name | DOLASTATIN-16;CYClO-(PRO-DPV-PRO-DML-O-LAC-PRO-O-HIV-ME-VAL) |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H70N6O10 |
| InChI | InChI=1S/C47H70N6O10/c1-26(2)36-30(8)46(60)62-31(9)42(56)53-24-16-21-35(53)47(61)63-39(28(5)6)45(59)50(10)38(27(3)4)44(58)52-23-15-20-34(52)41(55)49-37(29(7)25-32-17-12-11-13-18-32)43(57)51-22-14-19-33(51)40(54)48-36/h11-13,17-18,26-31,33-39H,14-16,19-25H2,1-10H3,(H,48,54)(H,49,55)/t29?,30?,31-,33+,34+,35+,36?,37?,38-,39+/m1/s1 |
| InChIKey | JXOFEBNJOOEXJY-YWTJYMSXSA-N |
| Literature Reference Author | G.R.PETTIT,J.P.XU,F.HOGAN,M.D.WILLIAMS,D.L.DOUBEK,J.M.SCHMID T,R.L.CERNY,M.R.BOYD |
| Literature Reference Citation | J.NAT.PROD.,60,752(1997) |
| Literature Reference DOI | 10.1021/np9700230 |
| Molecular Weight | 879.107 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP8350 |