| SpectraBase Compound ID | 7AYk2vFLqAQ |
|---|---|
| InChI | InChI=1S/C20H28O3/c1-10-12-9-11-5-6-13-19(2,3)8-7-14(21)20(13,4)16(11)15(17(10)22)18(12)23/h12-15,18,21,23H,1,5-9H2,2-4H3/t12-,13-,14+,15+,18+,20+/m1/s1 |
| InChIKey | HVAQWSIZEFUTQU-BHTVYLQZSA-N |
| Mol Weight | 316.44 g/mol |
| Molecular Formula | C20H28O3 |
| Exact Mass | 316.203845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AAvFfAGXltL |
|---|---|
| Name | Jungermannenone D |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O3 |
| InChI | InChI=1S/C20H28O3/c1-10-12-9-11-5-6-13-19(2,3)8-7-14(21)20(13,4)16(11)15(17(10)22)18(12)23/h12-15,18,21,23H,1,5-9H2,2-4H3/t12-,13-,14+,15+,18+,20+/m1/s1 |
| InChIKey | HVAQWSIZEFUTQU-BHTVYLQZSA-N |
| Molecular Weight | 316.441 g/mol |
| SMILES | O[C@]1(CCC([C@@]2([C@@]1(C=1[C@@]3([C@]([C@](CC1CC2)(C(C3=O)=C)[H])(O)[H])[H])C)[H])(C)C)[H] |
| SPLASH | splash10-002b-1980000000-2e37a8e8c5bf86c4179c |
| Source of Spectrum | KC-61-4541-8 |
| Wiley ID | 1629091 |