| SpectraBase Compound ID | L76urnV1HGC |
|---|---|
| InChI | InChI=1S/C48H75N5O8S/c1-14-29(3)41-46(58)53-21-15-16-38(53)47(59)61-40(31(5)26-48(8,9)10)23-28(2)22-39(54)32(6)43-49-35(27-62-43)24-30(4)42(55)50-37(25-34-17-19-36(60-13)20-18-34)45(57)51(11)33(7)44(56)52(41)12/h17-20,24,28-29,31-33,35,37-41,54H,14-16,21-23,25-27H2,1-13H3,(H,50,55)/b30-24+/t28-,29-,31+,32-,33-,35-,37-,38-,39-,40-,41-/m0/s1 |
| InChIKey | OFUDGDJEKOUEKG-OUZOOTIPSA-N |
| Mol Weight | 882.2 g/mol |
| Molecular Formula | C48H75N5O8S |
| Exact Mass | 881.533636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 49EIbHpAEog |
|---|---|
| Name | APRATOXIN_D |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H75N5O8S |
| InChI | InChI=1S/C48H75N5O8S/c1-14-29(3)41-46(58)53-21-15-16-38(53)47(59)61-40(31(5)26-48(8,9)10)23-28(2)22-39(54)32(6)43-49-35(27-62-43)24-30(4)42(55)50-37(25-34-17-19-36(60-13)20-18-34)45(57)51(11)33(7)44(56)52(41)12/h17-20,24,28-29,31-33,35,37-41,54H,14-16,21-23,25-27H2,1-13H3,(H,50,55)/b30-24+/t28-,29-,31+,32-,33-,35-,37-,38-,39-,40-,41-/m0/s1 |
| InChIKey | OFUDGDJEKOUEKG-OUZOOTIPSA-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 | 882.212 g/mol |
| Sample ID | 28625 |
| Solvent | CDCl3 |