| SpectraBase Compound ID | AyatDIYIL0U |
|---|---|
| InChI | InChI=1S/C28H24N2O10S4/c1-29-25-24(33)30-22-16(23(32)28(30,27(29)35)42-44-43-41-25)13-38-9-8-19(22)40-26(34)15-5-7-18(37-3)21(11-15)39-20-10-14(12-31)4-6-17(20)36-2/h4-13,19,22-23,25,32H,1-3H3/t19-,22-,23+,25-,28+/m0/s1 |
| InChIKey | NCQXOJAQCMOMSL-MJMBDICDSA-N |
| Mol Weight | 676.7 g/mol |
| Molecular Formula | C28H24N2O10S4 |
| Exact Mass | 676.03138 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GfJuSrDoI5l |
|---|---|
| Name | MPC1001E |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H24N2O10S4 |
| InChI | InChI=1S/C28H24N2O10S4/c1-29-25-24(33)30-22-16(23(32)28(30,27(29)35)42-44-43-41-25)13-38-9-8-19(22)40-26(34)15-5-7-18(37-3)21(11-15)39-20-10-14(12-31)4-6-17(20)36-2/h4-13,19,22-23,25,32H,1-3H3/t19-,22-,23+,25-,28+/m0/s1 |
| InChIKey | NCQXOJAQCMOMSL-MJMBDICDSA-N |
| Literature Reference Author | H.ONODERA,A.HASEGAWA,N.TSUMAGARI,R.NAKAI,T.OGAWA,Y.KANDA |
| Literature Reference Citation | ORG.LETTERS,6,4101(2004) |
| Literature Reference DOI | 10.1021/ol048202d |
| Molecular Weight | 676.746 g/mol |
| Sample ID | 39105 |
| Solvent | CDCl3 |