| SpectraBase Compound ID | GzXJubecLiN |
|---|---|
| InChI | InChI=1S/C25H32O9/c1-26-18-8-14(9-19(27-2)23(18)30-5)22-16-12-34-25(32-7,17(16)13-33-22)15-10-20(28-3)24(31-6)21(11-15)29-4/h8-11,16-17,22H,12-13H2,1-7H3/t16-,17-,22+,25-/m0/s1 |
| InChIKey | WNBKPKUETXQBPU-LWIQQOSISA-N |
| Mol Weight | 476.5 g/mol |
| Molecular Formula | C25H32O9 |
| Exact Mass | 476.204633 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6do1qPbYROU |
|---|---|
| Name | Caruilignan A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H32O9 |
| InChI | InChI=1S/C25H32O9/c1-26-18-8-14(9-19(27-2)23(18)30-5)22-16-12-34-25(32-7,17(16)13-33-22)15-10-20(28-3)24(31-6)21(11-15)29-4/h8-11,16-17,22H,12-13H2,1-7H3/t16-,17-,22+,25-/m0/s1 |
| InChIKey | WNBKPKUETXQBPU-LWIQQOSISA-N |
| Molecular Weight | 476.522 g/mol |
| SMILES | [C@]1([C@@]2([C@]([C@@](c3cc(OC)c(c(c3)OC)OC)(OC2)[H])([H])CO1)[H])(c1cc(OC)c(c(c1)OC)OC)OC |
| SPLASH | splash10-0032-0890400000-95de2ca1a8719e38ddbf |
| Source of Spectrum | E2-49-186-2 |
| Wiley ID | 1555659 |