| SpectraBase Compound ID | GqxwffswRyf |
|---|---|
| InChI | InChI=1S/C29H54N2O8/c1-5-7-8-9-10-11-12-13-14-15-16-18-23(34)30-24(20(3)4)28(37)39-29-25(31-22(33)17-6-2)27(36)26(35)21(19-32)38-29/h20-21,24-27,29,32,35-36H,5-19H2,1-4H3,(H,30,34)(H,31,33)/t21-,24?,25-,26-,27-,29-/m1/s1 |
| InChIKey | LGELFTOGZAFDTM-TVFZEBHCSA-N |
| Mol Weight | 558.8 g/mol |
| Molecular Formula | C29H54N2O8 |
| Exact Mass | 558.388017 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KTdccge3s8Z |
|---|---|
| Name | MAJOR_ISOMER |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H54N2O8 |
| InChI | InChI=1S/C29H54N2O8/c1-5-7-8-9-10-11-12-13-14-15-16-18-23(34)30-24(20(3)4)28(37)39-29-25(31-22(33)17-6-2)27(36)26(35)21(19-32)38-29/h20-21,24-27,29,32,35-36H,5-19H2,1-4H3,(H,30,34)(H,31,33)/t21-,24?,25-,26-,27-,29-/m1/s1 |
| InChIKey | LGELFTOGZAFDTM-TVFZEBHCSA-N |
| Literature Reference Author | D.DWIVEDI,R.JANSEN,G.MOLINARI,M.NIMTZ,B.N.JOHRI,V.WRAY |
| Literature Reference Citation | J.NAT.PROD.,71,637(2008) |
| Literature Reference DOI | 10.1021/np7007126 |
| Molecular Weight | 558.756 g/mol |
| Sample ID | 27653 |
| Solvent | CD3OD |