| SpectraBase Compound ID | HRqW3CzgyIG |
|---|---|
| InChI | InChI=1S/C25H28O10/c1-11-7-19-22-25(5,35-22)10-15-8-17(24(29)33-15)18(31-13(3)26)9-16(12(2)23(28)30-6)21(20(11)34-19)32-14(4)27/h7-8,15-16,18,21-22H,2,9-10H2,1,3-6H3/t15-,16+,18-,21+,22-,25-/m1/s1 |
| InChIKey | DORQEQXBYZYXMV-WZONMDRTSA-N |
| Mol Weight | 488.49 g/mol |
| Molecular Formula | C25H28O10 |
| Exact Mass | 488.168247 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3pWx1XtjoMl |
|---|---|
| Name | Bipinnatin I |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H28O10 |
| InChI | InChI=1S/C25H28O10/c1-11-7-19-22-25(5,35-22)10-15-8-17(24(29)33-15)18(31-13(3)26)9-16(12(2)23(28)30-6)21(20(11)34-19)32-14(4)27/h7-8,15-16,18,21-22H,2,9-10H2,1,3-6H3/t15-,16+,18-,21+,22-,25-/m1/s1 |
| InChIKey | DORQEQXBYZYXMV-WZONMDRTSA-N |
| Molecular Weight | 488.489 g/mol |
| SMILES | [C@@]12([C@@](c3oc([C@]([C@](C(C(=O)OC)=C)(C[C@](C4=C[C@@](OC4=O)(C1)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])c(c3)C)(O2)[H])C |
| SPLASH | splash10-0019-2902000000-af2aba48349345ea4600 |
| Source of Spectrum | G4-62-1235-8 |
| Wiley ID | 1607978 |