![(2R,3S)-8-[2-[(2S,3R)-2,3,8-trihydroxytetralin-5-yl]ethynyl]tetralin-2,3,5-triol](/api/spectrum/2DqjbP08CvT/structure.png?h=300&w=458 "(2R,3S)-8-[2-[(2S,3R)-2,3,8-trihydroxytetralin-5-yl]ethynyl]tetralin-2,3,5-triol")
| SpectraBase Compound ID | 3DpftzmkgJv |
|---|---|
| InChI | InChI=1S/C22H22O6/c23-17-5-3-11(13-7-19(25)21(27)9-15(13)17)1-2-12-4-6-18(24)16-10-22(28)20(26)8-14(12)16/h3-6,19-28H,7-10H2/t19-,20-,21+,22+/m1/s1 |
| InChIKey | KZWJPDMBDZJSHE-CZYKHXBRSA-N |
| Mol Weight | 382.41 g/mol |
| Molecular Formula | C22H22O6 |
| Exact Mass | 382.141638 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2DqjbP08CvT |
|---|---|
| Name | (2R,3S)-8-[2-[(2S,3R)-2,3,8-trihydroxytetralin-5-yl]ethynyl]tetralin-2,3,5-triol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H22O6 |
| InChI | InChI=1S/C22H22O6/c23-17-5-3-11(13-7-19(25)21(27)9-15(13)17)1-2-12-4-6-18(24)16-10-22(28)20(26)8-14(12)16/h3-6,19-28H,7-10H2/t19-,20-,21+,22+/m1/s1 |
| InChIKey | KZWJPDMBDZJSHE-CZYKHXBRSA-N |
| Molecular Weight | 382.412 g/mol |
| SMILES | O[C@]1([C@](Cc2c(c(C#Cc3c4C[C@]([C@](Cc4c(cc3)O)(O)[H])(O)[H])ccc2O)C1)(O)[H])[H] |
| SPLASH | splash10-0006-9000000000-47fd1e3b2ff6aba385a3 |
| Source of Spectrum | J-66-7136-3 |
| Synonyms | (6R,7S)-4-[2-[(6S,7R)-4,6,7-trihydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]ethynyl]-5,6,7,8-tetrahydronaphthalene-1,6,7-triol (6R,7S)-4-[2-[(6S,7R)-4,6,7-tris(oxidanyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethynyl]-5,6,7,8-tetrahydronaphthalene-1,6,7-triol |
| Wiley ID | 1536102 |