| SpectraBase Compound ID | 4tpxR24siCH |
|---|---|
| InChI | InChI=1S/C28H22O8/c29-18-9-17(10-19(30)12-18)27-26-15(3-1-14-2-5-21(32)23(34)7-14)8-20(31)13-25(26)36-28(27)16-4-6-22(33)24(35)11-16/h1-13,27-35H/b3-1+ |
| InChIKey | MTYSFTYBAMMIGE-HNQUOIGGSA-N |
| Mol Weight | 486.48 g/mol |
| Molecular Formula | C28H22O8 |
| Exact Mass | 486.131468 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ct8iRhjuieL |
|---|---|
| Name | Scipursin B |
| Alternate Name(s) | 5-[.beta.-3',4'-Dihydroxyphenyl)ethenyl]-3-hydroxy-6,7-bis[3'',4'' /4''' 5'''-dihydroxyphenyl]-6,7-dihydrobenzopyran 4-[(E)-2-[2-(3,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2,3-dihydrobenzofuran-4-yl]ethenyl]benzene-1,2-diol 4-[(E)-2-[2-(3,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2,3-dihydro-1-benzofuran-4-yl]ethenyl]benzene-1,2-diol 4-[(E)-2-[2-(3,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2,3-dihydrobenzofuran-4-yl]vinyl]benzene-1,2-diol 4-[(E)-2-[2-[3,4-bis(oxidanyl)phenyl]-3-[3,5-bis(oxidanyl)phenyl]-6-oxidanyl-2,3-dihydro-1-benzofuran-4-yl]ethenyl]benzene-1,2-diol |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H22O8 |
| InChI | InChI=1S/C28H22O8/c29-18-9-17(10-19(30)12-18)27-26-15(3-1-14-2-5-21(32)23(34)7-14)8-20(31)13-25(26)36-28(27)16-4-6-22(33)24(35)11-16/h1-13,27-35H/b3-1+ |
| InChIKey | MTYSFTYBAMMIGE-HNQUOIGGSA-N |
| Molecular Weight | 486.476 g/mol |
| SMILES | Oc1cc(\C=C\c2cc(cc3OC(C(c4cc(cc(c4)O)O)c23)c2cc(O)c(cc2)O)O)ccc1O |
| SPLASH | splash10-03di-0900000000-57a6771b0e7c5485eea3 |
| Source of Spectrum | X2-50-295-5 |
| Wiley ID | 1602249 |