| SpectraBase Compound ID | E8EAkxxNeME |
|---|---|
| InChI | InChI=1S/C44H67N5O8S/c1-12-27(5)38-43(54)49-19-13-14-35(49)44(55)57-37(25(2)3)21-26(4)20-36(50)29(7)40-45-32(24-58-40)22-28(6)39(51)46-34(23-31-15-17-33(56-11)18-16-31)42(53)47(9)30(8)41(52)48(38)10/h15-18,22,25-27,29-30,32,34-38,50H,12-14,19-21,23-24H2,1-11H3,(H,46,51)/b28-22+/t26-,27-,29-,30-,32-,34-,35-,36-,37-,38-/m0/s1 |
| InChIKey | OIRVOJCFIYCVDL-ADWUXKIFSA-N |
| Mol Weight | 826.1 g/mol |
| Molecular Formula | C44H67N5O8S |
| Exact Mass | 825.471035 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LsgzqZxUQQU |
|---|---|
| Name | APRATOXIN_C |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H67N5O8S |
| InChI | InChI=1S/C44H67N5O8S/c1-12-27(5)38-43(54)49-19-13-14-35(49)44(55)57-37(25(2)3)21-26(4)20-36(50)29(7)40-45-32(24-58-40)22-28(6)39(51)46-34(23-31-15-17-33(56-11)18-16-31)42(53)47(9)30(8)41(52)48(38)10/h15-18,22,25-27,29-30,32,34-38,50H,12-14,19-21,23-24H2,1-11H3,(H,46,51)/b28-22+/t26-,27-,29-,30-,32-,34-,35-,36-,37-,38-/m0/s1 |
| InChIKey | OIRVOJCFIYCVDL-ADWUXKIFSA-N |
| Literature Reference Author | M.GUTIERREZ,T.L.SUYAMA,N.ENGENE,J.S.WINGERD,T.MATAINAHO,W.H. GERWICK |
| Literature Reference Citation | J.NAT.PROD.,71,1099(2008) |
| Literature Reference DOI | 10.1021/np800121a |
| Molecular Weight | 826.105 g/mol |
| Sample ID | 28627 |
| Solvent | CDCl3 |