| SpectraBase Compound ID | 9F1x63ASHbA |
|---|---|
| InChI | InChI=1S/C22H28O7/c1-12-6-7-17(27-16(5)24)14(3)11-19-20(15(4)22(26)29-19)18(10-12)28-21(25)13(2)8-9-23/h6,8,11,17-20,23H,4,7,9-10H2,1-3,5H3/b12-6-,13-8-,14-11-/t17-,18+,19?,20?/m1/s1 |
| InChIKey | FOCCASNSHDSZLN-AHTLFARCSA-N |
| Mol Weight | 404.46 g/mol |
| Molecular Formula | C22H28O7 |
| Exact Mass | 404.183503 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2jYPmV2EIYa |
|---|---|
| Name | Chromolaenide |
| CAS Registry Number | 66148-25-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28O7 |
| InChI | InChI=1S/C22H28O7/c1-12-6-7-17(27-16(5)24)14(3)11-19-20(15(4)22(26)29-19)18(10-12)28-21(25)13(2)8-9-23/h6,8,11,17-20,23H,4,7,9-10H2,1-3,5H3/b12-6-,13-8-,14-11-/t17-,18+,19?,20?/m1/s1 |
| InChIKey | FOCCASNSHDSZLN-AHTLFARCSA-N |
| Molecular Weight | 404.459 g/mol |
| SMILES | OC\C=C/(C(O[C@@]1(C2C(C(OC2\C=C/([C@](OC(=O)C)(C\C=C/(C1)C)[H])C)=O)=C)[H])=O)C |
| SPLASH | splash10-0002-9040000000-47779849bbfb66a870ac |
| Source of Spectrum | K-111-410-0 |
| Wiley ID | 1371255 |