| SpectraBase Compound ID | 3gpg9LJITdP |
|---|---|
| InChI | InChI=1S/C21H28O3/c1-13-6-9-18-20(2,3)10-5-11-21(18,4)15(13)12-14-16(22)7-8-17(23)19(14)24/h6-8,15,18,24H,5,9-12H2,1-4H3/t15-,18-,21+/m0/s1 |
| InChIKey | BTWPUBRFEZFSGY-UQASEVPWSA-N |
| Mol Weight | 328.45 g/mol |
| Molecular Formula | C21H28O3 |
| Exact Mass | 328.203845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6GtCgsUIIiK |
|---|---|
| Name | 21-Hydroxy-(ent)-isozonarone |
| Alternate Name(s) | 3-[2',5',5',6'-Tetramethyl-1',4',5',6',7',8',9',10'-octahydronapthalenyl)methyl]-2-hydroxynaphtho-1,4-quinone 2-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-3-hydroxycyclohexa-2,5-diene-1,4-dione 2-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-3-hydroxy-1,4-benzoquinone 2-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-3-oxidanyl-cyclohexa-2,5-diene-1,4-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28O3 |
| InChI | InChI=1S/C21H28O3/c1-13-6-9-18-20(2,3)10-5-11-21(18,4)15(13)12-14-16(22)7-8-17(23)19(14)24/h6-8,15,18,24H,5,9-12H2,1-4H3/t15-,18-,21+/m0/s1 |
| InChIKey | BTWPUBRFEZFSGY-UQASEVPWSA-N |
| Molecular Weight | 328.452 g/mol |
| SMILES | OC1=C(C[C@@]2([C@@]3([C@@](C(C)(C)CCC3)([H])CC=C2C)C)[H])C(C=CC1=O)=O |
| SPLASH | splash10-014r-0901000000-aa31244d61b173f36926 |
| Source of Spectrum | X2-68-1432-4 |
| Wiley ID | 1609740 |