| SpectraBase Compound ID | HrdYLTMxrgk |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-12-11-22-9-6-15-20(3,4)8-7-17(26-13(2)23)21(15,5)16(22)10-14(24)18(12)19(22)25/h12,15-19,25H,6-11H2,1-5H3/t12-,15-,16+,17+,18?,19-,21-,22?/m1/s1/i12D |
| InChIKey | XDUINYLLLYPMJM-YQGMENTPSA-N |
| Mol Weight | 363.5 g/mol |
| Molecular Formula | C22H33DO4 |
| Exact Mass | 363.251986 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GtDuWxzSFW2 |
|---|---|
| Name | ent-1.beta.-Acetoxy-16-.alpha.-deutero-14.alpha.-hydroxykaur-12-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H33DO4 |
| InChI | InChI=1S/C22H34O4/c1-12-11-22-9-6-15-20(3,4)8-7-17(26-13(2)23)21(15,5)16(22)10-14(24)18(12)19(22)25/h12,15-19,25H,6-11H2,1-5H3/t12-,15-,16+,17+,18?,19-,21-,22?/m1/s1/i12D |
| InChIKey | XDUINYLLLYPMJM-YQGMENTPSA-N |
| Molecular Weight | 363.516 g/mol |
| SMILES | O[C@]1(C23[C@]([C@@]4([C@@](OC(=O)C)(CCC([C@]4(CC3)[H])(C)C)[H])C)(CC(C1[C@@](C2)(C)[D])=O)[H])[H] |
| SPLASH | splash10-0006-9010000000-b08df325040f7c6c2178 |
| Source of Spectrum | J-60-2173-16 |
| Wiley ID | 1349879 |