| SpectraBase Compound ID | CnkyUs9YR0M |
|---|---|
| InChI | InChI=1S/C29H45BrO10/c1-16-12-20(10-8-9-11-30)38-27(32)18(3)29(33)15-23(17(2)22(40-29)14-21(13-16)34-5)39-28-26(36-7)24(31)25(35-6)19(4)37-28/h8-11,13,17-26,28,31,33H,12,14-15H2,1-7H3/b10-8+,11-9+,16-13+/t17-,18-,19-,20-,21-,22-,23-,24+,25-,26+,28-,29+/m1/s1 |
| InChIKey | PEEGMFDJRIRCQO-XUBWDLAMSA-N |
| Mol Weight | 633.6 g/mol |
| Molecular Formula | C29H45BrO10 |
| Exact Mass | 632.219611 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7CqOJK24YqZ |
|---|---|
| Name | DOLASTATIN_19 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H45BrO10 |
| InChI | InChI=1S/C29H45BrO10/c1-16-12-20(10-8-9-11-30)38-27(32)18(3)29(33)15-23(17(2)22(40-29)14-21(13-16)34-5)39-28-26(36-7)24(31)25(35-6)19(4)37-28/h8-11,13,17-26,28,31,33H,12,14-15H2,1-7H3/b10-8+,11-9+,16-13+/t17-,18-,19-,20-,21-,22-,23-,24+,25-,26+,28-,29+/m1/s1 |
| InChIKey | PEEGMFDJRIRCQO-XUBWDLAMSA-N |
| Literature Reference Author | G.R.PETTIT,J.P.XU,D.L.DOUBEK,J.C.CHAPUIS,J.M.SCHMIDT |
| Literature Reference Citation | J.NAT.PROD.,67,1252(2004) |
| Literature Reference DOI | 10.1021/np030198b |
| Molecular Weight | 633.574 g/mol |
| Solvent | CD3CN |
| Source File Reference | UWMZ7294 |