| SpectraBase Compound ID | 7KiY4BYWS1 |
|---|---|
| InChI | InChI=1S/C44H67N5O8S/c1-12-26(3)37-42(54)49-19-13-14-34(49)43(55)57-36(44(7,8)9)21-25(2)20-35(50)28(5)40-45-31(24-58-40)22-27(4)38(51)46-33(23-30-15-17-32(56-11)18-16-30)41(53)48(10)29(6)39(52)47-37/h15-18,22,25-26,28-29,31,33-37,50H,12-14,19-21,23-24H2,1-11H3,(H,46,51)(H,47,52)/b27-22+/t25-,26-,28-,29-,31-,33-,34-,35-,36-,37-/m0/s1 |
| InChIKey | ZSYPDXOLYNZQGO-RNTANXHRSA-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 | 9Ta1JCi32Zk |
|---|---|
| Name | APRATOXIN-B;MAJOR-CONFORMER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H67N5O8S |
| InChI | InChI=1S/C44H67N5O8S/c1-12-26(3)37-42(54)49-19-13-14-34(49)43(55)57-36(44(7,8)9)21-25(2)20-35(50)28(5)40-45-31(24-58-40)22-27(4)38(51)46-33(23-30-15-17-32(56-11)18-16-30)41(53)48(10)29(6)39(52)47-37/h15-18,22,25-26,28-29,31,33-37,50H,12-14,19-21,23-24H2,1-11H3,(H,46,51)(H,47,52)/b27-22+/t25-,26-,28-,29-,31-,33-,34-,35-,36-,37-/m0/s1 |
| InChIKey | ZSYPDXOLYNZQGO-RNTANXHRSA-N |
| Literature Reference Author | H.LUESCH,W.Y.YOSHIDA,R.E.MOORE,V.J.PAUL |
| Literature Reference Citation | BIOORG.MED.CHEM.,10,1973(2002) |
| Literature Reference DOI | 10.1016/S0968-0896(02)00014-7 |
| Molecular Weight | 826.105 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU31156 |