| SpectraBase Compound ID | 8vqEMHrO9re |
|---|---|
| InChI | InChI=1S/C15H18O3/c1-7-10-5-15(17)8(2)9-4-11(9)14(15,3)6-12(10)18-13(7)16/h9,11-12,17H,2,4-6H2,1,3H3/t9-,11-,12+,14+,15+/m1/s1 |
| InChIKey | KYPVAEYWYXRXRQ-FWTMIXAASA-N |
| Mol Weight | 246.31 g/mol |
| Molecular Formula | C15H18O3 |
| Exact Mass | 246.125594 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8GUbRcE2U1N |
|---|---|
| Name | Sarcandralactone A |
| Appearance | Colorless gum |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H18O3 |
| InChI | InChI=1S/C15H18O3/c1-7-10-5-15(17)8(2)9-4-11(9)14(15,3)6-12(10)18-13(7)16/h9,11-12,17H,2,4-6H2,1,3H3/t9-,11-,12+,14+,15+/m1/s1 |
| InChIKey | KYPVAEYWYXRXRQ-FWTMIXAASA-N |
| Instrument Name | Finnigan MAT-95 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np9006469 |
| Molecular Weight | 246.306 g/mol |
| Optical Rotation | [a]D20 = +168 (c = 0.1, MeOH) |
| Reported Formula | C15H18O3 |
| SMILES | O[C@@]12[C@]([C@]3([C@@](C2=C)(C3)[H])[H])(C[C@]2(C(C1)=C(C(O2)=O)C)[H])C |
| SPLASH | splash10-0m2c-9630000000-84b7bf3fe2ac9fd3d8d0 |
| Source of Spectrum | G4-73-49-1 |
| Wiley ID | 1846389 |