![(+-)-1-[4,6.alpha.,7.alpha.-Trihydroxy-5,6,7,8-tetrahydronaphthyl-2-(6.alpha.','7.alpha.'-dihydroxy-5',6',7',8'-tetrahydronaphthyl]ethyne](/api/spectrum/2ycb5F1sKpS/structure.png?h=300&w=458 "(+-)-1-[4,6.alpha.,7.alpha.-Trihydroxy-5,6,7,8-tetrahydronaphthyl-2-(6.alpha.','7.alpha.'-dihydroxy-5',6',7',8'-tetrahydronaphthyl]ethyne")
| SpectraBase Compound ID | 11F02gBCNbk |
|---|---|
| InChI | InChI=1S/C22H22O5/c23-18-7-6-13(16-10-21(26)22(27)11-17(16)18)5-4-12-2-1-3-14-8-19(24)20(25)9-15(12)14/h1-3,6-7,19-27H,8-11H2/t19-,20+,21+,22-/m0/s1 |
| InChIKey | DPRZANBZJSHLDG-CBPXPLCBSA-N |
| Mol Weight | 366.41 g/mol |
| Molecular Formula | C22H22O5 |
| Exact Mass | 366.146724 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2ycb5F1sKpS |
|---|---|
| Name | (+-)-1-[4,6.alpha.,7.alpha.-Trihydroxy-5,6,7,8-tetrahydronaphthyl-2-(6.alpha.','7.alpha.'-dihydroxy-5',6',7',8'-tetrahydronaphthyl]ethyne |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H22O5 |
| InChI | InChI=1S/C22H22O5/c23-18-7-6-13(16-10-21(26)22(27)11-17(16)18)5-4-12-2-1-3-14-8-19(24)20(25)9-15(12)14/h1-3,6-7,19-27H,8-11H2/t19-,20+,21+,22-/m0/s1 |
| InChIKey | DPRZANBZJSHLDG-CBPXPLCBSA-N |
| Molecular Weight | 366.413 g/mol |
| SMILES | O[C@]1([C@](Cc2c(c(C#Cc3c4c(C[C@@]([C@@](C4)(O)[H])(O)[H])ccc3)ccc2O)C1)(O)[H])[H] |
| SPLASH | splash10-0006-9005000000-e59857046c6b4dc33c61 |
| Source of Spectrum | J-66-7137-4 |
| Synonyms | (+)-(6S,7R,6'S,7'R)-1-[1-(4,6,7-Trihydroxy-5,6,7,8-tetrahydronaphthyl)]-2-[1'-(6',7'-dihydroxy-5',6',7',8'-tetrahydronaphthyl]ethyne (6R,7S)-4-[2-[(6S,7R)-6,7-dihydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]ethynyl]-5,6,7,8-tetrahydronaphthalene-1,6,7-triol (6R,7S)-4-[2-[(6S,7R)-6,7-bis(oxidanyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethynyl]-5,6,7,8-tetrahydronaphthalene-1,6,7-triol |
| Wiley ID | 1536099 |