| SpectraBase Compound ID | G15uRLJH2ml |
|---|---|
| InChI | InChI=1S/C28H24N2O10S2/c1-29-25(34)28-23(32)15-12-38-9-8-18-21(15)30(28)26(35)27(29,41-42-28)22(31)13-4-6-16(36-2)19(10-13)39-20-11-14(24(33)40-18)5-7-17(20)37-3/h4-12,18,21-23,31-32H,1-3H3/t18-,21-,22-,23+,27+,28+/m0/s1 |
| InChIKey | BPRXOIXJSLNVCK-KCEIGVIJSA-N |
| Mol Weight | 612.62 g/mol |
| Molecular Formula | C28H24N2O10S2 |
| Exact Mass | 612.087237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ENbFBMpEZd |
|---|---|
| Name | MPC1001 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H24N2O10S2 |
| InChI | InChI=1S/C28H24N2O10S2/c1-29-25(34)28-23(32)15-12-38-9-8-18-21(15)30(28)26(35)27(29,41-42-28)22(31)13-4-6-16(36-2)19(10-13)39-20-11-14(24(33)40-18)5-7-17(20)37-3/h4-12,18,21-23,31-32H,1-3H3/t18-,21-,22-,23+,27+,28+/m0/s1 |
| InChIKey | BPRXOIXJSLNVCK-KCEIGVIJSA-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 | 612.626 g/mol |
| Sample ID | 39101 |
| Solvent | CDCl3 |