| SpectraBase Compound ID | 34WU7yXuAxn |
|---|---|
| InChI | InChI=1S/C50H80N8O11/c1-17-30(7)41-46(65)52-26-38(59)56(14)36(24-28(3)4)44(63)51-27-39(60)58(16)40(29(5)6)47(66)57(15)37(25-34-22-20-19-21-23-34)45(64)53-32(9)42(61)50(11,12)49(68)55(13)33(10)43(62)54-35(18-2)31(8)48(67)69-41/h19-23,28-33,35-37,40-41H,17-18,24-27H2,1-16H3,(H,51,63)(H,52,65)(H,53,64)(H,54,62)/t30-,31-,32+,33-,35+,36-,37-,40-,41?/m0/s1 |
| InChIKey | MLDFWFKDAWCBSV-ILHUGFDFSA-N |
| Mol Weight | 969.2 g/mol |
| Molecular Formula | C50H80N8O11 |
| Exact Mass | 968.594655 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4RzRmu9uEOc |
|---|---|
| Name | DOLASTATIN-12 |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H80N8O11 |
| InChI | InChI=1S/C50H80N8O11/c1-17-30(7)41-46(65)52-26-38(59)56(14)36(24-28(3)4)44(63)51-27-39(60)58(16)40(29(5)6)47(66)57(15)37(25-34-22-20-19-21-23-34)45(64)53-32(9)42(61)50(11,12)49(68)55(13)33(10)43(62)54-35(18-2)31(8)48(67)69-41/h19-23,28-33,35-37,40-41H,17-18,24-27H2,1-16H3,(H,51,63)(H,52,65)(H,53,64)(H,54,62)/t30-,31-,32+,33-,35+,36-,37-,40-,41?/m0/s1 |
| InChIKey | MLDFWFKDAWCBSV-ILHUGFDFSA-N |
| Literature Reference Author | R.BAI,R.B.BATES,E.HAMEL,R.E.MOORE,P.NAKKIEW,G.R.PETTIT,B.A.S UFI |
| Literature Reference Citation | J.NAT.PROD.,65,1824(2002) |
| Literature Reference DOI | 10.1021/np020117w |
| Molecular Weight | 969.232 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI16452 |