| SpectraBase Compound ID | 9p6HSv1BRAY |
|---|---|
| InChI | InChI=1S/C21H28O10/c1-8(2)20(25)11-17(24)30-14(20)12(28-5)18(3)19(13-15(29-13)21(11,18)26)6-9(16(23)31-19)10(7-22)27-4/h8,11-15,22,25-26H,6-7H2,1-5H3/b10-9+/t11-,12+,13+,14-,15-,18-,19+,20+,21-/m0/s1 |
| InChIKey | OZKNMGZZFOYTHQ-XCLHWFCGSA-N |
| Mol Weight | 440.45 g/mol |
| Molecular Formula | C21H28O10 |
| Exact Mass | 440.168247 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4X98H07SxU |
|---|---|
| Name | Picrodendrin A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28O10 |
| InChI | InChI=1S/C21H28O10/c1-8(2)20(25)11-17(24)30-14(20)12(28-5)18(3)19(13-15(29-13)21(11,18)26)6-9(16(23)31-19)10(7-22)27-4/h8,11-15,22,25-26H,6-7H2,1-5H3/b10-9+/t11-,12+,13+,14-,15-,18-,19+,20+,21-/m0/s1 |
| InChIKey | OZKNMGZZFOYTHQ-XCLHWFCGSA-N |
| Molecular Weight | 440.445 g/mol |
| SMILES | OC\C(=C/1C(O[C@]2([C@]3([C@@]([C@]4(O[C@@]24[H])[H])([C@@]2([C@@]([C@]([C@]3(OC)[H])(OC2=O)[H])(C(C)C)O)[H])O)C)C1)=O)OC |
| SPLASH | splash10-0udl-9640000000-bee4530c14f0c454f155 |
| Source of Spectrum | E1-37-1806-1 |
| Wiley ID | 1517912 |