| SpectraBase Compound ID | 3srvvkWB2aw |
|---|---|
| InChI | InChI=1S/C35H53N5O7/c1-6-23(3)31(35(45)46-4)39-34(44)29(21-24-22-40(47-5)30-19-12-11-16-26(24)30)38-33(43)28(18-10-8-9-15-25(41)7-2)37-32(42)27-17-13-14-20-36-27/h11-12,16,19,22-23,27-29,31,36H,6-10,13-15,17-18,20-21H2,1-5H3,(H,37,42)(H,38,43)(H,39,44)/t23?,27-,28+,29+,31-/m0/s1 |
| InChIKey | VUVYKNNJCWRINZ-UXICNLNMSA-N |
| Mol Weight | 655.8 g/mol |
| Molecular Formula | C35H53N5O7 |
| Exact Mass | 655.394499 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8zIdFXbZD9Q |
|---|---|
| Name | ACYCLIC-APICIDIN-METHYLESTER |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H53N5O7 |
| InChI | InChI=1S/C35H53N5O7/c1-6-23(3)31(35(45)46-4)39-34(44)29(21-24-22-40(47-5)30-19-12-11-16-26(24)30)38-33(43)28(18-10-8-9-15-25(41)7-2)37-32(42)27-17-13-14-20-36-27/h11-12,16,19,22-23,27-29,31,36H,6-10,13-15,17-18,20-21H2,1-5H3,(H,37,42)(H,38,43)(H,39,44)/t23?,27-,28+,29+,31-/m0/s1 |
| InChIKey | VUVYKNNJCWRINZ-UXICNLNMSA-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 | 655.835 g/mol |
| Solvent | CD2Cl2 |
| Source File Reference | UWMS23317 |