| SpectraBase Compound ID | KtVpgBI59T4 |
|---|---|
| InChI | InChI=1S/C21H30O5/c1-10-6-14(22)18-20(3)13(10)9-17(23)26-16(20)8-12-11(2)7-15(25-5)19(24)21(12,18)4/h6,11-13,15-16,18-19,24H,7-9H2,1-5H3/t11-,12+,13+,15+,16-,18+,19-,20-,21+/m1/s1 |
| InChIKey | XDDHRUMIGCCRJF-QDKYMQDNSA-N |
| Mol Weight | 362.47 g/mol |
| Molecular Formula | C21H30O5 |
| Exact Mass | 362.209324 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2aLYDYqErm3 |
|---|---|
| Name | Perforaquassin C |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O5 |
| InChI | InChI=1S/C21H30O5/c1-10-6-14(22)18-20(3)13(10)9-17(23)26-16(20)8-12-11(2)7-15(25-5)19(24)21(12,18)4/h6,11-13,15-16,18-19,24H,7-9H2,1-5H3/t11-,12+,13+,15+,16-,18+,19-,20-,21+/m1/s1 |
| InChIKey | XDDHRUMIGCCRJF-QDKYMQDNSA-N |
| Molecular Weight | 362.466 g/mol |
| SMILES | O[C@]1([C@@]2([C@@]3([C@@]4([C@](C(=CC3=O)C)(CC(O[C@@]4(C[C@]2([C@@](C[C@@]1(OC)[H])(C)[H])[H])[H])=O)[H])C)[H])C)[H] |
| SPLASH | splash10-0udl-8629000000-ffe96908a2a6601ea0e0 |
| Source of Spectrum | H1-43-662-3 |
| Synonyms | (1beta,2alpha)-1-hydroxy-2-methoxypicras-12-ene-11,16-dione |
| Wiley ID | 757742 |