| SpectraBase Compound ID | IOElI8dHXPx |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-13(22)24-18-7-8-19(2,3)16-6-10-21-9-5-14(15(23)12-21)11-17(21)20(16,18)4/h5,9,14-18,23H,6-8,10-12H2,1-4H3/t14-,15+,16+,17-,18+,20-,21+/m0/s1/i23D |
| InChIKey | FXYVDTSZWATUCF-MTHBHVAKSA-N |
| Mol Weight | 333.49 g/mol |
| Molecular Formula | C21H312DO3 |
| Exact Mass | 333.241422 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KUCGYsK7Z9T |
|---|---|
| Name | ent-1.beta.-acetoxy-16.alpha.-hydroxy-16.beta.-deuterio-17-noratis-13-ene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H31DO3 |
| InChI | InChI=1S/C21H32O3/c1-13(22)24-18-7-8-19(2,3)16-6-10-21-9-5-14(15(23)12-21)11-17(21)20(16,18)4/h5,9,14-18,23H,6-8,10-12H2,1-4H3/t14-,15+,16+,17-,18+,20-,21+/m0/s1/i23D |
| InChIKey | FXYVDTSZWATUCF-MTHBHVAKSA-N |
| Molecular Weight | 333.490 g/mol |
| SMILES | [C@@]12([C@]3([C@]4(C=C[C@@](C3)([C@](O[2D])(C4)[H])[H])CC[C@@]2(C(CC[C@]1(OC(=O)C)[H])(C)C)[H])[H])C |
| SPLASH | splash10-0a4i-0090000000-6f4ad39bf087f1296808 |
| Source of Spectrum | F-47-9116-29 |
| Wiley ID | 1329858 |