| SpectraBase Compound ID | HdcaVnqyKve |
|---|---|
| InChI | InChI=1S/C22H30O2S2/c1-21-11-5-12-22(20(23)24-2,15-19-25-13-6-14-26-19)18(21)10-9-16-7-3-4-8-17(16)21/h3-4,7-8,18-19H,5-6,9-15H2,1-2H3/t18-,21-,22-/m0/s1 |
| InChIKey | QFOZKRCMCGNUES-NYVOZVTQSA-N |
| Mol Weight | 390.6 g/mol |
| Molecular Formula | C22H30O2S2 |
| Exact Mass | 390.168723 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1cfSVuN3FNI |
|---|---|
| Name | 1,3-Dithiane, 1-phenanthrenecarboxylic acid deriv. |
| Alternate Name(s) | 1-Phenanthrenecarboxylic acid, 1-(1,3-dithian-2-ylmethyl)-1,2,3,4,4a,9,10,10a-octahydro-4a-methyl-, methyl ester, (1.alpha.,4a.alpha.,10a.beta.)- 1.beta.-carbomethoxy-1.alpha.-(2',2'-trimethylenedithioethyl)-4a.beta.-methyl-10a.alpha.-H-1,2,3,4,4a,9,10,10a-octahydrophenanthrene Methyl (4beta,5beta,10alpha)-16-(1,3-dithian-2-yl)podocarpa-8,11,13-trien-15-oate |
| CAS Registry Number | 56143-91-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H30O2S2 |
| InChI | InChI=1S/C22H30O2S2/c1-21-11-5-12-22(20(23)24-2,15-19-25-13-6-14-26-19)18(21)10-9-16-7-3-4-8-17(16)21/h3-4,7-8,18-19H,5-6,9-15H2,1-2H3/t18-,21-,22-/m0/s1 |
| InChIKey | QFOZKRCMCGNUES-NYVOZVTQSA-N |
| Molecular Weight | 390.600 g/mol |
| SMILES | [C@@]12([C@@]([C@@](C(=O)OC)(CC3SCCCS3)CCC1)(CCc1c2cccc1)[H])C |
| SPLASH | splash10-0a59-9410000000-b5e6bd28ca11a9b79e2c |
| Source of Spectrum | C-97-2230-0 |
| Wiley ID | 1364844 |