| SpectraBase Compound ID | 4jlewPdJvwR |
|---|---|
| InChI | InChI=1S/C20H24O5/c1-6-12(3)19(22)24-16-9-11(2)7-8-15(21)13(4)10-17-18(16)14(5)20(23)25-17/h6,9,16-18H,4-5,7-8,10H2,1-3H3/b11-9+,12-6-/t16-,17+,18+/m1/s1 |
| InChIKey | WCTVCSTUKQFAEX-XPFNQZCQSA-N |
| Mol Weight | 344.41 g/mol |
| Molecular Formula | C20H24O5 |
| Exact Mass | 344.162374 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FroBtt8p1IN |
|---|---|
| Name | 2,4'-bis(Methylene)-6-methyl-8-(angeloyloxy)-3,5'-dioxo-(tetrahydro)furo[9,10-b]cyclodec-6-ene |
| Alternate Name(s) | Tamirin-6-O-angelate (Z)-2-methyl-2-butenoic acid [(3aR,4R,5E,11aS)-6-methyl-3,10-dimethylene-2,9-dioxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] ester [(3aR,4R,5E,11aS)-6-methyl-3,10-dimethylidene-2,9-dioxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate [(3aR,4R,5E,11aS)-6-methyl-3,10-dimethylene-2,9-dioxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate [(3aR,4R,5E,11aS)-6-methyl-3,10-dimethylidene-2,9-bis(oxidanylidene)-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H24O5 |
| InChI | InChI=1S/C20H24O5/c1-6-12(3)19(22)24-16-9-11(2)7-8-15(21)13(4)10-17-18(16)14(5)20(23)25-17/h6,9,16-18H,4-5,7-8,10H2,1-3H3/b11-9+,12-6-/t16-,17+,18+/m1/s1 |
| InChIKey | WCTVCSTUKQFAEX-XPFNQZCQSA-N |
| Molecular Weight | 344.407 g/mol |
| SMILES | C1(C([C@]2([C@](OC(\C(=C/C)C)=O)(\C=C\(CCC(C(C[C@@]2(O1)[H])=C)=O)C)[H])[H])=C)=O |
| SPLASH | splash10-0006-0019000000-361138ca85c567b5667d |
| Source of Spectrum | G4-71-2019-2 |
| Wiley ID | 1695184 |