| SpectraBase Compound ID | C49Wcj44vqf |
|---|---|
| InChI | InChI=1S/C21H22O2/c22-19(23)11-17-16-9-8-15-14(12-4-2-1-3-5-12)7-6-13-10-18(17)21(16)20(13)15/h1-9,13-18,20-21H,10-11H2,(H,22,23)/t13-,14+,15+,16-,17-,18+,20-,21-/m1/s1 |
| InChIKey | NCJMIMSYHAESBZ-ISPFPGQYSA-N |
| Mol Weight | 306.41 g/mol |
| Molecular Formula | C21H22O2 |
| Exact Mass | 306.16198 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1rMpZRSQx5B |
|---|---|
| Name | Endiandric acid A |
| CAS Registry Number | 74591-03-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H22O2 |
| InChI | InChI=1S/C21H22O2/c22-19(23)11-17-16-9-8-15-14(12-4-2-1-3-5-12)7-6-13-10-18(17)21(16)20(13)15/h1-9,13-18,20-21H,10-11H2,(H,22,23)/t13-,14+,15+,16-,17-,18+,20-,21-/m1/s1 |
| InChIKey | NCJMIMSYHAESBZ-ISPFPGQYSA-N |
| Molecular Weight | 306.405 g/mol |
| SMILES | OC(C[C@]1([C@]2([C@@]3([C@]4([C@@]([C@](c5ccccc5)(C=C[C@]4([H])C2)[H])([H])C=C[C@]13[H])[H])[H])[H])[H])=O |
| SPLASH | splash10-0693-2911000000-6eb2b09e5b3f933aa9ae |
| Source of Spectrum | B-34-1665-0 |
| Wiley ID | 1308632 |