| SpectraBase Compound ID | CyGEThIFAlV |
|---|---|
| InChI | InChI=1S/C23H26O11/c1-10(9-24)12-5-13(26)17(20(28)30-4)18-14(27)7-22(3,33-18)8-15-19-23(34-19,21(29)32-15)16(6-12)31-11(2)25/h9,12,15-19H,1,5-8H2,2-4H3/t12-,15-,16-,17+,18+,19-,22-,23?/m0/s1 |
| InChIKey | KSXUAYYEMGKRGW-QOUACRJMSA-N |
| Mol Weight | 478.45 g/mol |
| Molecular Formula | C23H26O11 |
| Exact Mass | 478.147512 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | YT5qeijS6E |
|---|---|
| Name | Bipinnatin Q |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H26O11 |
| InChI | InChI=1S/C23H26O11/c1-10(9-24)12-5-13(26)17(20(28)30-4)18-14(27)7-22(3,33-18)8-15-19-23(34-19,21(29)32-15)16(6-12)31-11(2)25/h9,12,15-19H,1,5-8H2,2-4H3/t12-,15-,16-,17+,18+,19-,22-,23?/m0/s1 |
| InChIKey | KSXUAYYEMGKRGW-QOUACRJMSA-N |
| Molecular Weight | 478.450 g/mol |
| SMILES | C123[C@]([C@@](C[C@]4(O[C@](C(C4)=O)([C@@](C(C[C@@](C[C@@]1(OC(=O)C)[H])(C(=C)C=O)[H])=O)(C(=O)OC)[H])[H])C)([H])OC2=O)(O3)[H] |
| SPLASH | splash10-0002-6000900000-5e1d66bff3537bf838b0 |
| Source of Spectrum | G4-71-388-6 |
| Wiley ID | 1694953 |