| SpectraBase Compound ID | 51tJ2LXiIjk |
|---|---|
| InChI | InChI=1S/C27H43N5O17/c1-8(35)28-13-4-5-32(27(46)31-13)25-22(45)18(41)15(30-10(3)37)23(48-25)24(21(44)20(43)16(39)11(38)6-33)49-26-19(42)14(29-9(2)36)17(40)12(7-34)47-26/h4-5,11-12,14-26,33-34,38-45H,6-7H2,1-3H3,(H,29,36)(H,30,37)(H,28,31,35,46)/t11-,12+,14-,15-,16-,17+,18-,19+,20+,21+,22+,23-,24?,25+,26-/m0/s1 |
| InChIKey | RLAZAJYMPZDMDD-YTFUVORYSA-N |
| Mol Weight | 709.7 g/mol |
| Molecular Formula | C27H43N5O17 |
| Exact Mass | 709.265395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kaviz6F750r |
|---|---|
| Name | N,N,N-TRIACETYLHIKIZIMYCIN;N,N,N-TRIACETYLANTHELMYCIN |
| CAS Registry Number | 62990-72-1 |
| Compound Number | 2C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H43N5O17 |
| InChI | InChI=1S/C27H43N5O17/c1-8(35)28-13-4-5-32(27(46)31-13)25-22(45)18(41)15(30-10(3)37)23(48-25)24(21(44)20(43)16(39)11(38)6-33)49-26-19(42)14(29-9(2)36)17(40)12(7-34)47-26/h4-5,11-12,14-26,33-34,38-45H,6-7H2,1-3H3,(H,29,36)(H,30,37)(H,28,31,35,46)/t11-,12+,14-,15-,16-,17+,18-,19+,20+,21+,22+,23-,24?,25+,26-/m0/s1 |
| InChIKey | RLAZAJYMPZDMDD-YTFUVORYSA-N |
| Literature Reference Author | M.VUILHORGNE,S.ENNIFAR,B.C.DAS,J.W.PASCHAL,R.NAGARAJAN,E.W.H AGAMAN,E.WENKERT |
| Literature Reference Citation | J.ORG.CHEM.,42,3289(1977) |
| Literature Reference DOI | 10.1021/jo00440a019 |
| Molecular Weight | 709.662 g/mol |
| Solvent | D2O |
| Source File Reference | UWCS13012 |