![1-[(2'-Phenylsulfonyl-1'-methyl)ethyl]-4-hydoxy-7a-methylbicyclo[4.3.0(3a,7a)]nonane](/api/spectrum/LL8Hi4MRaXp/structure.png?h=300&w=458 "1-[(2'-Phenylsulfonyl-1'-methyl)ethyl]-4-hydoxy-7a-methylbicyclo[4.3.0(3a,7a)]nonane")
| SpectraBase Compound ID | 2tKohMJI6wJ |
|---|---|
| InChI | InChI=1S/C19H28O3S/c1-14(13-23(21,22)15-7-4-3-5-8-15)16-10-11-17-18(20)9-6-12-19(16,17)2/h3-5,7-8,14,16-18,20H,6,9-13H2,1-2H3/t14-,16-,17+,18+,19-/m1/s1 |
| InChIKey | ABCWTBVRNAKSES-GYFISPQKSA-N |
| Mol Weight | 336.49 g/mol |
| Molecular Formula | C19H28O3S |
| Exact Mass | 336.175916 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LL8Hi4MRaXp |
|---|---|
| Name | 1-[(2'-Phenylsulfonyl-1'-methyl)ethyl]-4-hydoxy-7a-methylbicyclo[4.3.0(3a,7a)]nonane |
| Alternate Name(s) | (1R,3aR,4S,7aR)-1-[(S)(2'-Phenylsulfonyl-1'-methyl)ethyl]-4-hydoxy-7a-methylbicyclo[4.3.0(3a,7a)]nonane (1R,3aR,4S,7aR)-1-[(2S)-1-(benzenesulfonyl)propan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol (1R,3aR,4S,7aR)-1-[(1S)-2-(benzenesulfonyl)-1-methyl-ethyl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol (1R,3aR,4S,7aR)-7a-methyl-1-[(2S)-1-(phenylsulfonyl)propan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H28O3S |
| InChI | InChI=1S/C19H28O3S/c1-14(13-23(21,22)15-7-4-3-5-8-15)16-10-11-17-18(20)9-6-12-19(16,17)2/h3-5,7-8,14,16-18,20H,6,9-13H2,1-2H3/t14-,16-,17+,18+,19-/m1/s1 |
| InChIKey | ABCWTBVRNAKSES-GYFISPQKSA-N |
| Molecular Weight | 336.490 g/mol |
| SMILES | O[C@@]1([C@]2([C@@]([C@@]([C@@](CS(=O)(=O)c3ccccc3)(C)[H])(CC2)[H])(CCC1)C)[H])[H] |
| SPLASH | splash10-004i-9200000000-0a8388e5fc35faf22a79 |
| Source of Spectrum | K1-2000-2758-18 |
| Wiley ID | 749994 |