| SpectraBase Compound ID | AQIlgki8Ueo |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-11(22)24-16-6-7-19(2,3)14-5-8-21-10-13-12(17(13)18(21)23)9-15(21)20(14,16)4/h12-18,23H,5-10H2,1-4H3/t12?,13-,14+,15-,16+,17-,18+,20+,21+/m0/s1/i13D |
| InChIKey | LRCKYUFGVZBEHI-AVHBXWNBSA-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 | 5034bAwa93e |
|---|---|
| Name | ent-1.beta.-acetoxy-14R-hydroxy-16-deuterio-17-norchylobane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H31DO3 |
| InChI | InChI=1S/C21H32O3/c1-11(22)24-16-6-7-19(2,3)14-5-8-21-10-13-12(17(13)18(21)23)9-15(21)20(14,16)4/h12-18,23H,5-10H2,1-4H3/t12?,13-,14+,15-,16+,17-,18+,20+,21+/m0/s1/i13D |
| InChIKey | LRCKYUFGVZBEHI-AVHBXWNBSA-N |
| Molecular Weight | 333.490 g/mol |
| SMILES | O[C@]1([C@@]23[C@@]([C@@]4([C@](OC(=O)C)(CCC([C@]4(CC3)[H])(C)C)[H])C)([H])CC3[C@]1([C@]3(C2)[2D])[H])[H] |
| SPLASH | splash10-05fr-0091000000-754aa4428601aa96f166 |
| Source of Spectrum | F-47-9116-31 |
| Wiley ID | 1329860 |