| SpectraBase Compound ID | FDNgaL9wBY7 |
|---|---|
| InChI | InChI=1S/C31H46O5/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)17-18-27-19-29(33)28(21-31(34)35-7)20-30(27)36-26(6)32/h11,13,15,17,20,27,30H,8-10,12,14,16,18-19,21H2,1-7H3/b23-13+,24-15+,25-17+/t27-,30+/m1/s1 |
| InChIKey | CRMVDHPQQIMPPD-ZCERVFSSSA-N |
| Mol Weight | 498.7 g/mol |
| Molecular Formula | C31H46O5 |
| Exact Mass | 498.334525 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7KaBuUDB9Xu |
|---|---|
| Name | Eunicenone A Acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H46O5 |
| InChI | InChI=1S/C31H46O5/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)17-18-27-19-29(33)28(21-31(34)35-7)20-30(27)36-26(6)32/h11,13,15,17,20,27,30H,8-10,12,14,16,18-19,21H2,1-7H3/b23-13+,24-15+,25-17+/t27-,30+/m1/s1 |
| InChIKey | CRMVDHPQQIMPPD-ZCERVFSSSA-N |
| Molecular Weight | 498.704 g/mol |
| SMILES | C1(=C[C@](OC(=O)C)([C@@](CC1=O)(C\C=C\(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)[H])[H])CC(=O)OC |
| SPLASH | splash10-014i-9600100000-398bca387ff865752d0c |
| Source of Spectrum | F-49-9283-4 |
| Synonyms | Methyl {(3S,4S)-3-(acetyloxy)-6-oxo-4-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl]-1-cyclohexen-1-yl}acetate 2-[(3R,4R)-3-acetyloxy-6-oxo-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]-1-cyclohexenyl]acetic acid methyl ester Methyl 2-[(3R,4R)-3-acetyloxy-6-oxo-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]cyclohexen-1-yl]acetate Methyl 2-[(3R,4R)-3-acetoxy-6-oxo-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]cyclohexen-1-yl]acetate Methyl 2-[(3R,4R)-3-acetyloxy-6-oxidanylidene-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]cyclohexen-1-yl]ethanoate |
| Wiley ID | 788425 |