| SpectraBase Compound ID | 6bpsN9fnOnj |
|---|---|
| InChI | InChI=1S/C20H26O4/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)16(20)18(23)24-17(13)22/h9-11,16,21H,6-8H2,1-5H3/t16-,20+/m0/s1 |
| InChIKey | GTORZGSMKNNFDU-OXJNMPFZSA-N |
| Mol Weight | 330.42 g/mol |
| Molecular Formula | C20H26O4 |
| Exact Mass | 330.183109 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GWxUrr0uOgM |
|---|---|
| Name | (7aS,11aS)-2-hydroxy-3-isopropyl-8,8,11a-trimethyl-7a,9,10,11-tetrahydrobenzo[d][2]benzoxepin-5,7-quinone |
| Alternate Name(s) | (7aS,11aS)-2-hydroxy-3-isopropyl-8,8,11a-trimethyl-7a,9,10,11-tetrahydrobenzo[d][2]benzoxepine-5,7-dione (7aS,11aS)-2-hydroxy-8,8,11a-trimethyl-3-propan-2-yl-7a,9,10,11-tetrahydrobenzo[d][2]benzoxepin-5,7-dione (7aS,11aS)-2-hydroxy-8,8,11a-trimethyl-3-propan-2-yl-7a,9,10,11-tetrahydrobenzo[d][2]benzoxepine-5,7-dione (7aS,11aS)-8,8,11a-trimethyl-2-oxidanyl-3-propan-2-yl-7a,9,10,11-tetrahydrobenzo[d][2]benzoxepine-5,7-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H26O4 |
| InChI | InChI=1S/C20H26O4/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)16(20)18(23)24-17(13)22/h9-11,16,21H,6-8H2,1-5H3/t16-,20+/m0/s1 |
| InChIKey | GTORZGSMKNNFDU-OXJNMPFZSA-N |
| Molecular Weight | 330.424 g/mol |
| SMILES | Oc1c(C(C)C)cc2C(=O)OC([C@@]3([C@@](c2c1)(CCCC3(C)C)C)[H])=O |
| SPLASH | splash10-0uy0-2192000000-f92cf5c49331c81b37da |
| Source of Spectrum | G4-61-831-2 |
| Wiley ID | 1607297 |