| SpectraBase Compound ID | 85rfLJkfxKD |
|---|---|
| InChI | InChI=1S/C34H51N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,24,26-27,29-30,40H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22?,24-,26-,27-,29+,30-/m0/s1 |
| InChIKey | XSKZVBPNWYDMNT-YWHDRAQFSA-N |
| Mol Weight | 625.8 g/mol |
| Molecular Formula | C34H51N5O6 |
| Exact Mass | 625.383934 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5cf05E9NUO1 |
|---|---|
| Name | APICIDIN-D2 |
| Compound Number | 1E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H51N5O6 |
| InChI | InChI=1S/C34H51N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,24,26-27,29-30,40H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22?,24-,26-,27-,29+,30-/m0/s1 |
| InChIKey | XSKZVBPNWYDMNT-YWHDRAQFSA-N |
| Literature Reference Author | S.B.SINGH,D.L.ZINK,J.M.LIESCH,R.T.MOSLEY,A.W.DOMBROWSKI,G.F. BILLS,S.J.DARKIN-RAT |
| Literature Reference Citation | J.ORG.CHEM.,67,815(2002) |
| Literature Reference DOI | 10.1021/jo016088w |
| Molecular Weight | 625.809 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS23315 |