| SpectraBase Compound ID | DXP8Euskjy2 |
|---|---|
| InChI | InChI=1S/C22H30O5/c1-13(2)22(26)10-9-21(4)12-17(24)14(3)11-18(19(21)22)27-20(25)15-5-7-16(23)8-6-15/h5-8,13,17-19,23-24,26H,3,9-12H2,1-2,4H3 |
| InChIKey | KZSXMCLSPHIQCN-UHFFFAOYSA-N |
| Mol Weight | 374.48 g/mol |
| Molecular Formula | C22H30O5 |
| Exact Mass | 374.209324 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HOBaArbSJC2 |
|---|---|
| Name | Ferugin |
| Alternate Name(s) | 4-Hydroxybenzoic acid (3,7-dihydroxy-8a-methyl-6-methylene-3-propan-2-yl-2,3a,4,5,7,8-hexahydro-1H-azulen-4-yl) ester (3,7-dihydroxy-8a-methyl-6-methylidene-3-propan-2-yl-2,3a,4,5,7,8-hexahydro-1H-azulen-4-yl) 4-hydroxybenzoate (3,7-dihydroxy-3-isopropyl-8a-methyl-6-methylene-2,3a,4,5,7,8-hexahydro-1H-azulen-4-yl) 4-hydroxybenzoate [8a-methyl-6-methylidene-3,7-bis(oxidanyl)-3-propan-2-yl-2,3a,4,5,7,8-hexahydro-1H-azulen-4-yl] 4-oxidanylbenzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H30O5 |
| InChI | InChI=1S/C22H30O5/c1-13(2)22(26)10-9-21(4)12-17(24)14(3)11-18(19(21)22)27-20(25)15-5-7-16(23)8-6-15/h5-8,13,17-19,23-24,26H,3,9-12H2,1-2,4H3 |
| InChIKey | KZSXMCLSPHIQCN-UHFFFAOYSA-N |
| Molecular Weight | 374.477 g/mol |
| SMILES | OC1(CCC2(C1C(CC(C(C2)O)=C)OC(c1ccc(cc1)O)=O)C)C(C)C |
| SPLASH | splash10-00yi-5915000000-e0dce9d484fc3f3cd118 |
| Source of Spectrum | X2-50-255-2 |
| Wiley ID | 1602206 |