| SpectraBase Compound ID | LA8wPelr2jQ |
|---|---|
| InChI | InChI=1S/C26H42O3/c1-17(7-6-14-26(3,4)29)22-12-13-23-19(8-5-9-24(22)23)10-11-20-15-21(27)16-25(28)18(20)2/h10-11,17,21-25,27-29H,2,5-9,12-16H2,1,3-4H3/b19-10+,20-11-/t17-,21-,22?,23+,24-,25+/m1/s1 |
| InChIKey | XUUFFAJYKSCUCE-DKQDCSLPSA-N |
| Mol Weight | 402.6 g/mol |
| Molecular Formula | C26H42O3 |
| Exact Mass | 402.313395 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5TfIIiyGQNQ |
|---|---|
| Name | 1.alpha.,25-Dihydroxy-18-norvitamin D3 |
| Alternate Name(s) | (1R,3S,5Z)-5-[(2E)-2-[(3aR,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol (1R,3S,5Z)-5-[(2E)-2-[(3aR,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol (1R,3S,5Z)-5-[(2E)-2-[(3aR,7aR)-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H42O3 |
| InChI | InChI=1S/C26H42O3/c1-17(7-6-14-26(3,4)29)22-12-13-23-19(8-5-9-24(22)23)10-11-20-15-21(27)16-25(28)18(20)2/h10-11,17,21-25,27-29H,2,5-9,12-16H2,1,3-4H3/b19-10+,20-11-/t17-,21-,22?,23+,24-,25+/m1/s1 |
| InChIKey | XUUFFAJYKSCUCE-DKQDCSLPSA-N |
| Molecular Weight | 402.619 g/mol |
| SMILES | O[C@]1(C[C@@](C\C(C1=C)=C/C=C/1[C@]2([C@](C([C@@](CCCC(O)(C)C)(C)[H])CC2)([H])CCC1)[H])(O)[H])[H] |
| SPLASH | splash10-001i-0709000000-d69d81e2dc4668980ec8 |
| Source of Spectrum | E1-39-4504-2 |
| Wiley ID | 1599018 |