| SpectraBase Compound ID | 4rOnq0MvGI2 |
|---|---|
| InChI | InChI=1S/2C16H25NO4/c2*1-9-7-10(2)13(11(3)16(4,20)8-9)14-12(18)5-6-17(21)15(14)19/h2*5-6,9-11,13,18,20-21H,7-8H2,1-4H3/t2*9-,10+,11+,13-,16+/m11/s1 |
| InChIKey | GNMZYTYSBWKCFQ-YGXJZDLPSA-N |
| Mol Weight | 590.76 g/mol |
| Molecular Formula | C32H50N2O8 |
| Exact Mass | 590.356717 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J9MLry6XhrH |
|---|---|
| Name | AKANTHOMYCIN;MIXTURE_OF_ATROPISOMERS |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H48N2O8 |
| InChI | InChI=1S/2C16H25NO4/c2*1-9-7-10(2)13(11(3)16(4,20)8-9)14-12(18)5-6-17(21)15(14)19/h2*5-6,9-11,13,18,20-21H,7-8H2,1-4H3/t2*9-,10+,11+,13-,16+/m11/s1 |
| InChIKey | GNMZYTYSBWKCFQ-YGXJZDLPSA-N |
| Literature Reference Author | M.M.WAGENAAR,D.M.GIBSON,J.CLARDY |
| Literature Reference Citation | ORG.LETTERS,4,671(2002) |
| Literature Reference DOI | 10.1021/ol016737q |
| Molecular Weight | 588.742 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ25337 |