| SpectraBase Compound ID | EOK27vzbwzF |
|---|---|
| InChI | InChI=1S/C25H34O6/c1-14(7-9-19-22(29)11-15(2)20(13-26)24(19)30)23(31-18(5)27)12-25(6)16(3)8-10-21(28)17(25)4/h7,11,13,16-17,23,29-30H,8-10,12H2,1-6H3/b14-7+/t16-,17+,23-,25+/m1/s1 |
| InChIKey | JBDGCQUQTRLHKA-XCWKDZIXSA-N |
| Mol Weight | 430.5 g/mol |
| Molecular Formula | C25H34O6 |
| Exact Mass | 430.235539 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3U1gRY1Vz6 |
|---|---|
| Name | Cylindrol A1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H34O6 |
| InChI | InChI=1S/C25H34O6/c1-14(7-9-19-22(29)11-15(2)20(13-26)24(19)30)23(31-18(5)27)12-25(6)16(3)8-10-21(28)17(25)4/h7,11,13,16-17,23,29-30H,8-10,12H2,1-6H3/b14-7+/t16-,17+,23-,25+/m1/s1 |
| InChIKey | JBDGCQUQTRLHKA-XCWKDZIXSA-N |
| Molecular Weight | 430.541 g/mol |
| SMILES | Oc1c(c(c(c(c1)C)C=O)O)C\C=C\([C@@](C[C@@]1([C@](C(=O)CC[C@]1(C)[H])(C)[H])C)(OC(=O)C)[H])C |
| SPLASH | splash10-015j-3591000000-f83f78083ade714783e3 |
| Source of Spectrum | J-61-7734-1 |
| Synonyms | (2E)-4-(3-formyl-2,6-dihydroxy-4-methylphenyl)-2-methyl-1-{[(1S)-1,2,6-trimethyl-3-oxocyclohexyl]methyl}-2-butenyl acetate Acetic acid [(E,2R)-5-(3-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-3-en-2-yl] ester [(E,2R)-5-(3-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-3-en-2-yl] acetate [(E,1R)-4-(3-formyl-2,6-dihydroxy-4-methyl-phenyl)-2-methyl-1-[[(1S,2R,6R)-1,2,6-trimethyl-3-oxo-cyclohexyl]methyl]but-2-enyl] acetate [(E,2R)-5-[3-methanoyl-4-methyl-2,6-bis(oxidanyl)phenyl]-3-methyl-1-[(1S,2R,6R)-1,2,6-trimethyl-3-oxidanylidene-cyclohexyl]pent-3-en-2-yl] ethanoate |
| Wiley ID | 1381620 |