![(ent)-16.alpha.,17-[(Thiocarbonyl)dioxy]-atis-13-ene](/api/spectrum/ABQepzWPCQ2/structure.png?h=300&w=458 "(ent)-16.alpha.,17-[(Thiocarbonyl)dioxy]-atis-13-ene")
| SpectraBase Compound ID | 2JqtUb1K4Y3 |
|---|---|
| InChI | InChI=1S/C21H30O2S/c1-18(2)7-4-8-19(3)15(18)6-10-20-9-5-14(11-16(19)20)21(12-20)13-22-17(24)23-21/h5,9,14-16H,4,6-8,10-13H2,1-3H3/t14?,15?,16?,19-,20-,21-/m1/s1 |
| InChIKey | AYPJZPOGTXYNPH-BISNMVCHSA-N |
| Mol Weight | 346.53 g/mol |
| Molecular Formula | C21H30O2S |
| Exact Mass | 346.196651 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ABQepzWPCQ2 |
|---|---|
| Name | (ent)-16.alpha.,17-[(Thiocarbonyl)dioxy]-atis-13-ene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O2S |
| InChI | InChI=1S/C21H30O2S/c1-18(2)7-4-8-19(3)15(18)6-10-20-9-5-14(11-16(19)20)21(12-20)13-22-17(24)23-21/h5,9,14-16H,4,6-8,10-13H2,1-3H3/t14?,15?,16?,19-,20-,21-/m1/s1 |
| InChIKey | AYPJZPOGTXYNPH-BISNMVCHSA-N |
| Molecular Weight | 346.529 g/mol |
| SMILES | [C@@]12(C3[C@]4(C=CC([C@@]5(OC(=S)OC5)C4)C3)CCC1C(C)(C)CCC2)C |
| SPLASH | splash10-0006-9300000000-4a8988dae69ef21037c9 |
| Source of Spectrum | X2-52-675-8 |
| Wiley ID | 1603167 |