![2-HYDROXY-5-METHOXY-3-[(1,2,4A,5-TETRAMETHYL-1,2,3,4,4A,7,8,8A-OCTAHYDRO-NAPHTHALEN-1-YL)-METHYL]-PARA-BENZOQUINONE;ISO-SPONGIAQUINONE](/api/spectrum/8kyZLPPnCwI/structure.png?h=300&w=458 "2-HYDROXY-5-METHOXY-3-[(1,2,4A,5-TETRAMETHYL-1,2,3,4,4A,7,8,8A-OCTAHYDRO-NAPHTHALEN-1-YL)-METHYL]-PARA-BENZOQUINONE;ISO-SPONGIAQUINONE")
| SpectraBase Compound ID | CGcqaKjVQxu |
|---|---|
| InChI | InChI=1S/C22H30O4/c1-13-7-6-8-18-21(13,3)10-9-14(2)22(18,4)12-15-19(24)16(23)11-17(26-5)20(15)25/h7,11,14,18,24H,6,8-10,12H2,1-5H3 |
| InChIKey | LKNAVZKSKJJHQH-UHFFFAOYSA-N |
| Mol Weight | 358.48 g/mol |
| Molecular Formula | C22H30O4 |
| Exact Mass | 358.214409 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8kyZLPPnCwI |
|---|---|
| Name | 2,5-Cyclohexadiene-1.4-dione, 2-hydroxy-5-methoxy-3-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)- |
| CAS Registry Number | 69672-66-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H30O4 |
| InChI | InChI=1S/C22H30O4/c1-13-7-6-8-18-21(13,3)10-9-14(2)22(18,4)12-15-19(24)16(23)11-17(26-5)20(15)25/h7,11,14,18,24H,6,8-10,12H2,1-5H3 |
| InChIKey | LKNAVZKSKJJHQH-UHFFFAOYSA-N |
| Molecular Weight | 358.478 g/mol |
| SMILES | OC1=C(C(C(=CC1=O)OC)=O)CC1(C2C(C(C)=CCC2)(C)CCC1C)C |
| SPLASH | splash10-00kb-5900000000-5f3936f64eba71f16d1a |
| Source of Spectrum | X2-55-1642-3 |
| Synonyms | 3-[(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]-2-hydroxy-5-methoxy-1,4-benzoquinone 3-[(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]-2-hydroxy-5-methoxy-p-benzoquinone 3-[(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione 3-[(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]-5-methoxy-2-oxidanyl-cyclohexa-2,5-diene-1,4-dione 5-epi-Isospongiaquinone Isospongiaquinone |
| Wiley ID | 1604675 |