| SpectraBase Compound ID | Gs0gQpT3b4I |
|---|---|
| InChI | InChI=1S/C23H34O5/c1-13-16-5-6-20-22(4)11-18(27-14(2)25)9-17(12-24)19(22)7-8-23(20,10-16)21(13)28-15(3)26/h16-21,24H,1,5-12H2,2-4H3/t16?,17-,18+,19?,20-,21-,22+,23+/m0/s1 |
| InChIKey | NONAOVBMWRNHNB-WHYLMHTQSA-N |
| Mol Weight | 390.5 g/mol |
| Molecular Formula | C23H34O5 |
| Exact Mass | 390.240624 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Afvz7lZVezI |
|---|---|
| Name | 2,15-Diacetyl-atractylitriol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H34O5 |
| InChI | InChI=1S/C23H34O5/c1-13-16-5-6-20-22(4)11-18(27-14(2)25)9-17(12-24)19(22)7-8-23(20,10-16)21(13)28-15(3)26/h16-21,24H,1,5-12H2,2-4H3/t16?,17-,18+,19?,20-,21-,22+,23+/m0/s1 |
| InChIKey | NONAOVBMWRNHNB-WHYLMHTQSA-N |
| Molecular Weight | 390.520 g/mol |
| SMILES | OC[C@]1(C2CC[C@]34[C@](C(=C)C(C4)CC[C@]3([C@@]2(C[C@](OC(=O)C)(C1)[H])C)[H])(OC(=O)C)[H])[H] |
| SPLASH | splash10-0006-9442000000-18f049a840669708991f |
| Source of Spectrum | H-2005-2114-17 |
| Wiley ID | 1562795 |