| SpectraBase Compound ID | FBCRAJpggg6 |
|---|---|
| InChI | InChI=1S/C22H30O5/c1-13-7-9-21(3)17(6-5-8-22(21)12-27-22)20(13,2)11-14-18(24)15(23)10-16(26-4)19(14)25/h10,13,17,24H,5-9,11-12H2,1-4H3/t13-,17-,20+,21+,22-/m0/s1 |
| InChIKey | UJKZGHMXPUKAET-LSAZLFRZSA-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 | 1sBbGf3YR6 |
|---|---|
| Name | 5-epi-illimaquinone - epoxide |
| Alternate Name(s) | 3-[[(1R,2S,4aR,5R,8aS)-1,2,4a-trimethyl-1-spiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]yl]methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione 3-[[(1R,2S,4aR,5R,8aS)-1,2,4a-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione 3-[[(1R,2S,4aR,5R,8aS)-1,2,4a-trimethylspiro[decalin-5,2'-oxirane]-1-yl]methyl]-2-hydroxy-5-methoxy-1,4-benzoquinone 3-[[(1R,2S,4aR,5R,8aS)-1,2,4a-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]methyl]-5-methoxy-2-oxidanyl-cyclohexa-2,5-diene-1,4-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H30O5 |
| InChI | InChI=1S/C22H30O5/c1-13-7-9-21(3)17(6-5-8-22(21)12-27-22)20(13,2)11-14-18(24)15(23)10-16(26-4)19(14)25/h10,13,17,24H,5-9,11-12H2,1-4H3/t13-,17-,20+,21+,22-/m0/s1 |
| InChIKey | UJKZGHMXPUKAET-LSAZLFRZSA-N |
| Molecular Weight | 374.477 g/mol |
| SMILES | OC1=C(C(C(=CC1=O)OC)=O)C[C@]1([C@]2([C@@]([C@]3(OC3)CCC2)(C)CC[C@@]1(C)[H])[H])C |
| SPLASH | splash10-066r-9610000000-9a1c53a84cc39a422a35 |
| Source of Spectrum | G4-60-97-10 |
| Wiley ID | 1606582 |