| SpectraBase Compound ID | 9YIf7JrG7xI |
|---|---|
| InChI | InChI=1S/C18H20O4S/c19-14-8-4-7-13-17(14)15(20)11-16(18(13)21-9-10-22-18)23-12-5-2-1-3-6-12/h1-6,8,13-14,16-17,19H,7,9-11H2/t13-,14+,16-,17-/m1/s1 |
| InChIKey | ICVAAECZMPYRKZ-YALNPMBYSA-N |
| Mol Weight | 332.41 g/mol |
| Molecular Formula | C18H20O4S |
| Exact Mass | 332.10823 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4BBaZjdNGE |
|---|---|
| Name | (1'RS,4a'SR,6'SR,8a'SR)-1'-hydroxy-6'-phenylthio-1',4',4a',6',7',8a'-hexahydrospiro{1,3-dioxolane-2,5'(8'H)-naphthalene}-8'-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H20O4S |
| InChI | InChI=1S/C18H20O4S/c19-14-8-4-7-13-17(14)15(20)11-16(18(13)21-9-10-22-18)23-12-5-2-1-3-6-12/h1-6,8,13-14,16-17,19H,7,9-11H2/t13-,14+,16-,17-/m1/s1 |
| InChIKey | ICVAAECZMPYRKZ-YALNPMBYSA-N |
| Molecular Weight | 332.414 g/mol |
| SMILES | O[C@@]1([C@@]2(C(=O)C[C@](C3([C@@]2(CC=C1)[H])OCCO3)(Sc1ccccc1)[H])[H])[H] |
| SPLASH | splash10-014j-7900000000-8e4ee11b85dbf044f86a |
| Source of Spectrum | F-56-3607-13 |
| Synonyms | (3'R,4'aR,8'S,8'aR)-8'-hydroxy-3'-(phenylthio)-1'-spiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydronaphthalene]one (3'R,4'aR,8'S,8'aR)-8'-hydroxy-3'-phenylsulfanylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydronaphthalene]-1'-one (3'R,4'aR,8'S,8'aR)-8'-hydroxy-3'-phenylsulfanyl-spiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydronaphthalene]-1'-one (3'R,4'aR,8'S,8'aR)-8'-oxidanyl-3'-phenylsulfanyl-spiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydronaphthalene]-1'-one |
| Wiley ID | 857209 |