![(5RS,5aSR,11aRS,11bRS)-5-Phenylthiodecahydro-1H-oxepino[3',4':4,5]isoxazolo[2,3-a]pyridin-1-one](/api/spectrum/3RWX4RtbBx1/structure.png?h=300&w=458 "(5RS,5aSR,11aRS,11bRS)-5-Phenylthiodecahydro-1H-oxepino[3',4':4,5]isoxazolo[2,3-a]pyridin-1-one")
| SpectraBase Compound ID | JVh7BmoXcU8 |
|---|---|
| InChI | InChI=1S/C17H21NO3S/c19-17-15-13-8-4-5-10-18(13)21-16(15)14(9-11-20-17)22-12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11H2/t13-,14-,15-,16-/m1/s1 |
| InChIKey | XGMWLJKVDDHHGM-KLHDSHLOSA-N |
| Mol Weight | 319.42 g/mol |
| Molecular Formula | C17H21NO3S |
| Exact Mass | 319.124215 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3RWX4RtbBx1 |
|---|---|
| Name | (5RS,5aSR,11aRS,11bRS)-5-Phenylthiodecahydro-1H-oxepino[3',4':4,5]isoxazolo[2,3-a]pyridin-1-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H21NO3S |
| InChI | InChI=1S/C17H21NO3S/c19-17-15-13-8-4-5-10-18(13)21-16(15)14(9-11-20-17)22-12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11H2/t13-,14-,15-,16-/m1/s1 |
| InChIKey | XGMWLJKVDDHHGM-KLHDSHLOSA-N |
| Molecular Weight | 319.419 g/mol |
| SMILES | [C@@]12([C@@]([C@]3(CCCCN3O2)[H])(C(OCC[C@]1(Sc1ccccc1)[H])=O)[H])[H] |
| SPLASH | splash10-01b9-2914000000-53484587b75961d3f1bf |
| Source of Spectrum | F-53-16811-11 |
| Synonyms | (4aR,4bR,9R,9aS)-9-Phenylsulfanyl-decahydro-6,10-dioxa-10a-aza-benzo[a]azulen-5-one (5R,5aS,11aR,11bR)-5-phenylsulfanyl-3,4,5,5a,8,9,10,11,11a,11b-decahydrooxepino[2,3]isoxazolo[2,4-a]pyridin-1-one (5R,5aS,11aR,11bR)-5-phenylsulfanyl-3,4,5,5a,8,9,10,11,11a,11b-decahydrooxepino[2,3][1,2]oxazolo[2,4-a]pyridin-1-one |
| Wiley ID | 804804 |