![[1R-[1.alpha.(R*),3a.beta.,4.alpha.,7a.alpha.,(3S*,4S*)]]-octahydro-7a-methyl-1-[1-methyl-2-(2,4,5,5-tetramethyl-3-isoxazolidinyl)ethyl]1H-inden-4-ol](/api/spectrum/KpJqh7XaLin/structure.png?h=300&w=458 "[1R-[1.alpha.(R*),3a.beta.,4.alpha.,7a.alpha.,(3S*,4S*)]]-octahydro-7a-methyl-1-[1-methyl-2-(2,4,5,5-tetramethyl-3-isoxazolidinyl)ethyl]1H-inden-4-ol")
| SpectraBase Compound ID | Idl9c0wyD18 |
|---|---|
| InChI | InChI=1S/C20H37NO2/c1-13(12-17-14(2)19(3,4)23-21(17)6)15-9-10-16-18(22)8-7-11-20(15,16)5/h13-18,22H,7-12H2,1-6H3/t13?,14?,15-,16+,17+,18+,20-/m1/s1 |
| InChIKey | PKYAPKOBKVEPGX-WCMPYDLQSA-N |
| Mol Weight | 323.5 g/mol |
| Molecular Formula | C20H37NO2 |
| Exact Mass | 323.282429 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KpJqh7XaLin |
|---|---|
| Name | [1R-[1.alpha.(R*),3a.beta.,4.alpha.,7a.alpha.,(3S*,4S*)]]-octahydro-7a-methyl-1-[1-methyl-2-(2,4,5,5-tetramethyl-3-isoxazolidinyl)ethyl]1H-inden-4-ol |
| CAS Registry Number | 95716-65-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H37NO2 |
| InChI | InChI=1S/C20H37NO2/c1-13(12-17-14(2)19(3,4)23-21(17)6)15-9-10-16-18(22)8-7-11-20(15,16)5/h13-18,22H,7-12H2,1-6H3/t13?,14?,15-,16+,17+,18+,20-/m1/s1 |
| InChIKey | PKYAPKOBKVEPGX-WCMPYDLQSA-N |
| Molecular Weight | 323.521 g/mol |
| SMILES | O[C@@]1([C@]2([C@@]([C@@](C(C[C@@]3(N(OC(C)(C)C3C)C)[H])C)(CC2)[H])(CCC1)C)[H])[H] |
| SPLASH | splash10-004i-0900000000-0eb6e26965f5740d5c7a |
| Source of Spectrum | J-51-3107-41 |
| Synonyms | (1R,3aR,4S,7aR)-7a-methyl-1-{1-methyl-2-[(3S)-2,4,5,5-tetramethylisoxazolidinyl]ethyl}octahydro-1H-inden-4-ol (1R,3aR,4S,7aR)-7a-methyl-1-[1-[(3S)-2,4,5,5-tetramethyl-3-isoxazolidinyl]propan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-ol (1R,3aR,4S,7aR)-7a-methyl-1-[1-[(3S)-2,4,5,5-tetramethyl-1,2-oxazolidin-3-yl]propan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-ol |
| Wiley ID | 1322620 |