| SpectraBase Compound ID | B0U9DWWTUkx |
|---|---|
| InChI | InChI=1S/C18H20O5/c1-12-7-5-3-2-4-6-8-14(19)9-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,5-6,8,10-12,20-21H,2,4,7,9H2,1H3/b5-3+,8-6+/t12-/m0/s1 |
| InChIKey | AGKSYPMAQRUJJY-RLNIQIEQSA-N |
| Mol Weight | 316.35 g/mol |
| Molecular Formula | C18H20O5 |
| Exact Mass | 316.131074 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EZhQEVCqQrF |
|---|---|
| Name | Monocillin II |
| Appearance | Colorless solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H20O5 |
| InChI | InChI=1S/C18H20O5/c1-12-7-5-3-2-4-6-8-14(19)9-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,5-6,8,10-12,20-21H,2,4,7,9H2,1H3/b5-3+,8-6+/t12-/m0/s1 |
| InChIKey | AGKSYPMAQRUJJY-RLNIQIEQSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020556v |
| Molecular Weight | 316.353 g/mol |
| Reported Formula | C18H20O5 |
| SMILES | Oc1cc2c(c(c1)O)C(O[C@](C\C=C\CC\C=C\C(C2)=O)(C)[H])=O |
| SPLASH | splash10-0fsi-9743000000-d978bbd20949fa4dd1dd |
| Source of Spectrum | G4-66-836-9 |
| Wiley ID | 1881424 |