| SpectraBase Compound ID | FeCTXseBDSj |
|---|---|
| InChI | InChI=1S/C26H42O2/c1-18(2)7-5-8-19(3)23-13-14-24-20(9-6-16-26(23,24)4)10-11-21-17-22(27)12-15-25(21)28/h10-11,18-19,22-24,27H,5-9,12-17H2,1-4H3/b20-10+,21-11+/t19-,22+,23-,24+,26-/m1/s1 |
| InChIKey | GBQBUXZDVCNURD-WLKRGULMSA-N |
| Mol Weight | 386.6 g/mol |
| Molecular Formula | C26H42O2 |
| Exact Mass | 386.318481 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JFWENoiQiW8 |
|---|---|
| Name | (5E)-10-Oxo-19-nor-cholecalciferol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H42O2 |
| InChI | InChI=1S/C26H42O2/c1-18(2)7-5-8-19(3)23-13-14-24-20(9-6-16-26(23,24)4)10-11-21-17-22(27)12-15-25(21)28/h10-11,18-19,22-24,27H,5-9,12-17H2,1-4H3/b20-10+,21-11+/t19-,22+,23-,24+,26-/m1/s1 |
| InChIKey | GBQBUXZDVCNURD-WLKRGULMSA-N |
| Molecular Weight | 386.620 g/mol |
| SMILES | O[C@@]1(C\C(=C/C=C/2[C@]3([C@@]([C@](CC3)([C@@](CCCC(C)C)(C)[H])[H])(CCC2)C)[H])C(=O)CC1)[H] |
| SPLASH | splash10-052f-9201000000-04404b1177ac6c5a451b |
| Source of Spectrum | U-1993-593-21 |
| Synonyms | (1S,5E,7E,17beta)-17-[(1R)-1,5-dimethylhexyl]-1-hydroxy-9,10-secoestra-5,7-dien-4-one (2E,4S)-2-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-hydroxy-cyclohexanone (2E,4S)-2-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-hydroxy-1-cyclohexanone (2E,4S)-2-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-hydroxycyclohexan-1-one (2E,4S)-2-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-oxidanyl-cyclohexan-1-one |
| Wiley ID | 764986 |