| SpectraBase Compound ID | 1N1ckMEuAHe |
|---|---|
| InChI | InChI=1S/C24H32O6/c1-12-6-13(29-5)7-17(26)19(12)22(28)30-18-10-24(4)16-9-23(2,3)8-14(16)21(27)15(11-25)20(18)24/h6-7,14,16,18,21,25-27H,8-11H2,1-5H3/t14-,16+,18-,21+,24-/m1/s1 |
| InChIKey | KIBURFBDQVFUHO-ZXSIQIRYSA-N |
| Mol Weight | 416.5 g/mol |
| Molecular Formula | C24H32O6 |
| Exact Mass | 416.219889 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HFG5jGsbR3B |
|---|---|
| Name | Armillyl everninate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H32O6 |
| InChI | InChI=1S/C24H32O6/c1-12-6-13(29-5)7-17(26)19(12)22(28)30-18-10-24(4)16-9-23(2,3)8-14(16)21(27)15(11-25)20(18)24/h6-7,14,16,18,21,25-27H,8-11H2,1-5H3/t14-,16+,18-,21+,24-/m1/s1 |
| InChIKey | KIBURFBDQVFUHO-ZXSIQIRYSA-N |
| Molecular Weight | 416.514 g/mol |
| SMILES | OCC1=C2[C@](C[C@]2(OC(c2c(cc(cc2C)OC)O)=O)[H])([C@@]2([C@]([C@@]1(O)[H])(CC(C2)(C)C)[H])[H])C |
| SPLASH | splash10-014i-0920000000-5cd381a4ee24d8e815a5 |
| Source of Spectrum | X2-49-114-3 |
| Synonyms | 2-Hydroxy-4-methoxy-6-methylbenzoic acid [(2R,4S,4aR,7aS,7bR)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] ester [(2R,4S,4aR,7aS,7bR)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate [(2R,4S,4aR,7aS,7bR)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methyl-benzoate [(2R,4S,4aR,7aS,7bR)-3-(hydroxymethyl)-6,6,7b-trimethyl-4-oxidanyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 4-methoxy-2-methyl-6-oxidanyl-benzoate |
| Wiley ID | 1601816 |