![5-[(2S,3S)-2-(3,4-dihydroxyphenyl)-6-hydroxy-4-[(E)-2-(4-hydroxyphenyl)vinyl]-2,3-dihydrobenzofuran-3-yl]resorcinol](/api/spectrum/CvTNWEUpDyr/structure.png?h=300&w=458 "5-[(2S,3S)-2-(3,4-dihydroxyphenyl)-6-hydroxy-4-[(E)-2-(4-hydroxyphenyl)vinyl]-2,3-dihydrobenzofuran-3-yl]resorcinol")
| SpectraBase Compound ID | 1FYtLEgarBl |
|---|---|
| InChI | InChI=1S/C28H22O7/c29-19-6-2-15(3-7-19)1-4-16-9-22(32)14-25-26(16)27(18-10-20(30)13-21(31)11-18)28(35-25)17-5-8-23(33)24(34)12-17/h1-14,27-34H/b4-1+/t27-,28+/m0/s1 |
| InChIKey | VJVQHVVOEFJLIO-BQYFGGCBSA-N |
| Mol Weight | 470.48 g/mol |
| Molecular Formula | C28H22O7 |
| Exact Mass | 470.136553 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CvTNWEUpDyr |
|---|---|
| Name | Scirpusin A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H22O7 |
| InChI | InChI=1S/C28H22O7/c29-19-6-2-15(3-7-19)1-4-16-9-22(32)14-25-26(16)27(18-10-20(30)13-21(31)11-18)28(35-25)17-5-8-23(33)24(34)12-17/h1-14,27-34H/b4-1+/t27-,28+/m0/s1 |
| InChIKey | VJVQHVVOEFJLIO-BQYFGGCBSA-N |
| Molecular Weight | 470.477 g/mol |
| SMILES | Oc1ccc(\C=C\c2c3[C@@]([C@@](c4ccc(c(c4)O)O)(Oc3cc(c2)O)[H])(c2cc(O)cc(c2)O)[H])cc1 |
| SPLASH | splash10-0006-9070200000-4fb1c9778b00a4ff7bbd |
| Source of Spectrum | X2-50-295-4 |
| Synonyms | 4-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol 4-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydrobenzofuran-2-yl]benzene-1,2-diol 4-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[(E)-2-(4-hydroxyphenyl)vinyl]-2,3-dihydrobenzofuran-2-yl]benzene-1,2-diol 4-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[(E)-2-(4-hydroxyphenyl)vinyl]coumaran-2-yl]pyrocatechol 4-[(2S,3S)-3-[3,5-bis(oxidanyl)phenyl]-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-oxidanyl-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol |
| Wiley ID | 1602191 |