![(6S)-2,4,4-trimethyl-6-oxidanyl-3-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-17-oxidanylidene-octadeca-3,5,7,9,11,13,15-heptaen-1-ynyl]cyclohex-2-en-1-one](/api/spectrum/3EuOvxOQM3s/structure.png?h=300&w=458 "(6S)-2,4,4-trimethyl-6-oxidanyl-3-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-17-oxidanylidene-octadeca-3,5,7,9,11,13,15-heptaen-1-ynyl]cyclohex-2-en-1-one")
| SpectraBase Compound ID | L1qDXrPRTXm |
|---|---|
| InChI | InChI=1S/C31H38O3/c1-22(13-9-10-14-23(2)17-12-18-25(4)27(6)32)15-11-16-24(3)19-20-28-26(5)30(34)29(33)21-31(28,7)8/h9-18,29,33H,21H2,1-8H3/b10-9+,15-11+,17-12+,22-13+,23-14+,24-16+,25-18+/t29-/m0/s1 |
| InChIKey | NIJIWUMFAXOVCR-VBQJELNCSA-N |
| Mol Weight | 458.6 g/mol |
| Molecular Formula | C31H38O3 |
| Exact Mass | 458.282095 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3EuOvxOQM3s |
|---|---|
| Name | (6S)-2,4,4-trimethyl-6-oxidanyl-3-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-17-oxidanylidene-octadeca-3,5,7,9,11,13,15-heptaen-1-ynyl]cyclohex-2-en-1-one |
| Alternate Name(s) | (6S)-6-hydroxy-2,4,4-trimethyl-3-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-17-oxo-octadeca-3,5,7,9,11,13,15-heptaen-1-ynyl]cyclohex-2-en-1-one (6S)-6-hydroxy-2,4,4-trimethyl-3-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-17-oxooctadeca-3,5,7,9,11,13,15-heptaen-1-ynyl]-1-cyclohex-2-enone (6S)-6-hydroxy-3-[(3E,5E,7E,9E,11E,13E,15E)-17-keto-3,7,12,16-tetramethyl-octadeca-3,5,7,9,11,13,15-heptaen-1-ynyl]-2,4,4-trimethyl-cyclohex-2-en-1-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H38O3 |
| InChI | InChI=1S/C31H38O3/c1-22(13-9-10-14-23(2)17-12-18-25(4)27(6)32)15-11-16-24(3)19-20-28-26(5)30(34)29(33)21-31(28,7)8/h9-18,29,33H,21H2,1-8H3/b10-9+,15-11+,17-12+,22-13+,23-14+,24-16+,25-18+/t29-/m0/s1 |
| InChIKey | NIJIWUMFAXOVCR-VBQJELNCSA-N |
| Molecular Weight | 458.642 g/mol |
| SMILES | O[C@]1(CC(C(=C(C1=O)C)C#C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C(=O)C)C)C)C)C)(C)C)[H] |
| SPLASH | splash10-052f-9300300000-d89baa84a3989d4a32a1 |
| Source of Spectrum | SB-51-1214-1 |
| Wiley ID | 1390099 |