| SpectraBase Compound ID | Ipt53c6gedb |
|---|---|
| InChI | InChI=1S/C33H47N5O6/c1-5-21(3)29-33(43)37-18-12-17-28(37)32(42)34-25(15-9-7-8-13-23(39)6-2)30(40)35-26(31(41)36-29)19-22-20-38(44-4)27-16-11-10-14-24(22)27/h10-11,14,16,20-21,25-26,28-29H,5-9,12-13,15,17-19H2,1-4H3,(H,34,42)(H,35,40)(H,36,41)/t21?,25-,26-,28+,29-/m0/s1 |
| InChIKey | HZWIJOWMGPTNRA-LAYXVCJNSA-N |
| Mol Weight | 609.8 g/mol |
| Molecular Formula | C33H47N5O6 |
| Exact Mass | 609.352634 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IdYf0DxXvWT |
|---|---|
| Name | APICIDIN-B |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H47N5O6 |
| InChI | InChI=1S/C33H47N5O6/c1-5-21(3)29-33(43)37-18-12-17-28(37)32(42)34-25(15-9-7-8-13-23(39)6-2)30(40)35-26(31(41)36-29)19-22-20-38(44-4)27-16-11-10-14-24(22)27/h10-11,14,16,20-21,25-26,28-29H,5-9,12-13,15,17-19H2,1-4H3,(H,34,42)(H,35,40)(H,36,41)/t21?,25-,26-,28+,29-/m0/s1 |
| InChIKey | HZWIJOWMGPTNRA-LAYXVCJNSA-N |
| Literature Reference Author | S.B.SINGH,D.L.ZINK,J.M.LIESCH,A.W.DOMBROWSKI,S.J.DARKIN-RATT RAY,D.M.SCHMATZ,M.A. |
| Literature Reference Citation | ORG.LETTERS,3,2815(2001) |
| Literature Reference DOI | 10.1021/ol016240g |
| Molecular Weight | 609.766 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN30723 |