![10-(1-(1-tosyl-1H-indol-3-yl) prop-2-ynyl)-6-oxaspiro[4.5]decan-1-one](/api/spectrum/3AIvcsZO22o/structure.png?h=300&w=458 "10-(1-(1-tosyl-1H-indol-3-yl) prop-2-ynyl)-6-oxaspiro[4.5]decan-1-one")
| SpectraBase Compound ID | 6LBV3dkp0bk |
|---|---|
| InChI | InChI=1S/C27H27NO4S/c1-3-21(24-9-7-17-32-27(24)16-6-11-26(27)29)23-18-28(25-10-5-4-8-22(23)25)33(30,31)20-14-12-19(2)13-15-20/h1,4-5,8,10,12-15,18,21,24H,6-7,9,11,16-17H2,2H3/t21?,24-,27-/m1/s1 |
| InChIKey | DJJZGQNZQLUFRA-ZQTWGCLLSA-N |
| Mol Weight | 461.58 g/mol |
| Molecular Formula | C27H27NO4S |
| Exact Mass | 461.16608 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3AIvcsZO22o |
|---|---|
| Name | 10-(1-(1-tosyl-1H-indol-3-yl) prop-2-ynyl)-6-oxaspiro[4.5]decan-1-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H27NO4S |
| InChI | InChI=1S/C27H27NO4S/c1-3-21(24-9-7-17-32-27(24)16-6-11-26(27)29)23-18-28(25-10-5-4-8-22(23)25)33(30,31)20-14-12-19(2)13-15-20/h1,4-5,8,10,12-15,18,21,24H,6-7,9,11,16-17H2,2H3/t21?,24-,27-/m1/s1 |
| InChIKey | DJJZGQNZQLUFRA-ZQTWGCLLSA-N |
| Literature Reference DOI | 10.1039/c3cc49650c |
| Molecular Weight | 461.576 g/mol |
| SMILES | C([C@]1(CCCO[C@@]11C(CCC1)=O)[H])(C#C)c1c2c([n](c1)S(c1ccc(cc1)C)(=O)=O)cccc2 |
| SPLASH | splash10-0a4l-9306000000-0529df0efbe466d2b2cc |
| Source of Spectrum | KD-50-5691/SMS9-3j |
| Synonyms | (5R,10R)-10-((S)-1-(1-tosyl-1H-indol-3-yl)prop-2-yn-1-yl)-6-oxaspiro[4.5]decan-1-one |
| Wiley ID | 1754421 |