| SpectraBase Compound ID | H9IenXytaJg |
|---|---|
| InChI | InChI=1S/C20H22O6/c1-8(2)9-6-10-12-15(13(9)22)25-11(21)7-20(12,5)17-16(14(10)23)26-18(24)19(17,3)4/h6,8,16-17,22H,7H2,1-5H3/t16-,17-,20+/m0/s1 |
| InChIKey | BRVFBXOJAHGUQS-ABSDTBQOSA-N |
| Mol Weight | 358.39 g/mol |
| Molecular Formula | C20H22O6 |
| Exact Mass | 358.141638 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7QXp90VcVla |
|---|---|
| Name | Pygmaeocin A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H22O6 |
| InChI | InChI=1S/C20H22O6/c1-8(2)9-6-10-12-15(13(9)22)25-11(21)7-20(12,5)17-16(14(10)23)26-18(24)19(17,3)4/h6,8,16-17,22H,7H2,1-5H3/t16-,17-,20+/m0/s1 |
| InChIKey | BRVFBXOJAHGUQS-ABSDTBQOSA-N |
| Molecular Weight | 358.390 g/mol |
| SMILES | Oc1c2c3[C@]([C@]4([C@@](OC(C4(C)C)=O)(C(=O)c3cc1C(C)C)[H])[H])(CC(O2)=O)C |
| SPLASH | splash10-0a4j-3079000000-b73657f48934a67c6d24 |
| Source of Spectrum | X2-52-586-1 |
| Wiley ID | 1603127 |