| SpectraBase Compound ID | DlbB1S3D0MM |
|---|---|
| InChI | InChI=1S/C30H49FO/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-26(31)25(5)18-19-27-29(6,7)28-20-21-30(27,8)32-28/h12,14,16,27-28H,9-11,13,15,17-21H2,1-8H3/b23-14+,24-16+,26-25-/t27?,28-,30+/m0/s1 |
| InChIKey | WPKUIFDNENETMR-YFTILATRSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C30H49FO |
| Exact Mass | 444.376744 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 44taaoXy4 |
|---|---|
| Name | 4-Fluoro-1-(2,2,6-trimethyl-3,6-epoxycyclohexyl)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraene |
| Alternate Name(s) | (1R,4S)-2-((3Z,7E,11E)-4-Fluoro-3,8,12,16-tetramethyl-heptadeca-3,7,11,15-tetraenyl)-1,3,3-trimethyl-7-oxa-bicyclo[2.2.1]heptane 2-[(3Z,7E,11E)-4-fluoro-3,8,12,16-tetramethyl-3,7,11,15-heptadecatetraenyl]-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptane (1S,4R)-3-[(3Z,7E,11E)-4-fluoro-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-2,2,4-trimethyl-7-oxabicyclo[2.2.1]heptane (1S,4R)-3-[(3Z,7E,11E)-4-fluoranyl-3,8,12,16-tetramethyl-heptadeca-3,7,11,15-tetraenyl]-2,2,4-trimethyl-7-oxabicyclo[2.2.1]heptane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H49FO |
| InChI | InChI=1S/C30H49FO/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-26(31)25(5)18-19-27-29(6,7)28-20-21-30(27,8)32-28/h12,14,16,27-28H,9-11,13,15,17-21H2,1-8H3/b23-14+,24-16+,26-25-/t27?,28-,30+/m0/s1 |
| InChIKey | WPKUIFDNENETMR-YFTILATRSA-N |
| Molecular Weight | 444.719 g/mol |
| SMILES | [C@]12(O[C@](C(C2CC\C(=C\(F)CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)(C)C)(CC1)[H])C |
| SPLASH | splash10-0gca-9700000000-7c33a93e3f28b8f6cf88 |
| Source of Spectrum | AT-39-960-15 |
| Wiley ID | 854139 |