| SpectraBase Compound ID | DELl1sWpSM5 |
|---|---|
| InChI | InChI=1S/C21H30O6/c1-7-11(2)18(23)26-15-9-8-12(3)20(5)14(15)10-21(25-6)16(17(20)22)13(4)19(24)27-21/h7,12,14-15,17,22H,8-10H2,1-6H3/b11-7-/t12-,14-,15-,17+,20+,21-/m0/s1 |
| InChIKey | CZMOHCGAILDDJJ-TVEXLHLKSA-N |
| Mol Weight | 378.47 g/mol |
| Molecular Formula | C21H30O6 |
| Exact Mass | 378.204239 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LLjR4Jb0Ka3 |
|---|---|
| Name | 1.alpha.-(Angeloyloxy)-6.beta.-hydroxy-8.beta.-methoxy-10.beta.H-eremophil-7(11)-en-8.alpha.,12-olide |
| Alternate Name(s) | (Z)-2-methyl-2-butenoic acid [(4S,4aR,5S,8S,8aR,9aS)-4-hydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f]benzofuran-8-yl] ester [(4S,4aR,5S,8S,8aR,9aS)-4-hydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-8-yl] (Z)-2-methylbut-2-enoate [(4S,4aR,5S,8S,8aR,9aS)-4-hydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f]benzofuran-8-yl] (Z)-2-methylbut-2-enoate [(4S,4aR,5S,8S,8aR,9aS)-9a-methoxy-3,4a,5-trimethyl-4-oxidanyl-2-oxidanylidene-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-8-yl] (Z)-2-methylbut-2-enoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O6 |
| InChI | InChI=1S/C21H30O6/c1-7-11(2)18(23)26-15-9-8-12(3)20(5)14(15)10-21(25-6)16(17(20)22)13(4)19(24)27-21/h7,12,14-15,17,22H,8-10H2,1-6H3/b11-7-/t12-,14-,15-,17+,20+,21-/m0/s1 |
| InChIKey | CZMOHCGAILDDJJ-TVEXLHLKSA-N |
| Molecular Weight | 378.465 g/mol |
| SMILES | O[C@]1([C@]2([C@@]([C@@](OC(\C(=C/C)C)=O)(CC[C@@]2(C)[H])[H])([H])C[C@]2(C1=C(C(=O)O2)C)OC)C)[H] |
| SPLASH | splash10-053s-9340000000-b3b586d9040473a7c6db |
| Source of Spectrum | G4-64-10-2 |
| Wiley ID | 1608757 |