| SpectraBase Compound ID | DRa46cmmrlL |
|---|---|
| InChI | InChI=1S/C24H28O9/c1-10-18(26)11(2)22-17-15(31-23-20(28)19(27)16(9-25)32-24(23)33-22)8-14(30-21(10)17)12-4-6-13(29-3)7-5-12/h4-7,14-16,19-20,23-28H,8-9H2,1-3H3/t14-,15-,16?,19+,20?,23?,24-/m0/s1 |
| InChIKey | BVWNFYIRLQDZHV-IZAIGNIDSA-N |
| Mol Weight | 460.48 g/mol |
| Molecular Formula | C24H28O9 |
| Exact Mass | 460.173332 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FNsiyZVChOt |
|---|---|
| Name | Abacopterin C |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H28O9 |
| InChI | InChI=1S/C24H28O9/c1-10-18(26)11(2)22-17-15(31-23-20(28)19(27)16(9-25)32-24(23)33-22)8-14(30-21(10)17)12-4-6-13(29-3)7-5-12/h4-7,14-16,19-20,23-28H,8-9H2,1-3H3/t14-,15-,16?,19+,20?,23?,24-/m0/s1 |
| InChIKey | BVWNFYIRLQDZHV-IZAIGNIDSA-N |
| Molecular Weight | 460.479 g/mol |
| SMILES | OCC1O[C@]2(Oc3c4[C@@](OC2C([C@@]1(O)[H])O)(C[C@](Oc4c(c(c3C)O)C)(c1ccc(OC)cc1)[H])[H])[H] |
| SPLASH | splash10-0002-0390000000-eebc39c682a474cb9c2f |
| Source of Spectrum | G4-69-268-3 |
| Wiley ID | 1694297 |