| SpectraBase Compound ID | H1jAkdxutXg |
|---|---|
| InChI | InChI=1S/C29H48O3/c1-19(9-7-15-28(4,5)32)26-13-14-27-22(10-8-16-29(26,27)6)11-12-23-17-24(31)18-25(20(23)2)21(3)30/h11-12,19,21,24-27,30-32H,2,7-10,13-18H2,1,3-6H3/b22-11+,23-12-/t19?,21-,24+,25-,26-,27+,29-/m1/s1 |
| InChIKey | PLLOZIMWGUSLET-FQJWXSKASA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C29H48O3 |
| Exact Mass | 444.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8kQgu6k4Tvw |
|---|---|
| Name | 1.alpha.,3.beta.-1-(1'(R)-Hydroxyethyl)-25-hydroxyvitamin D3 Homolog |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O3 |
| InChI | InChI=1S/C29H48O3/c1-19(9-7-15-28(4,5)32)26-13-14-27-22(10-8-16-29(26,27)6)11-12-23-17-24(31)18-25(20(23)2)21(3)30/h11-12,19,21,24-27,30-32H,2,7-10,13-18H2,1,3-6H3/b22-11+,23-12-/t19?,21-,24+,25-,26-,27+,29-/m1/s1 |
| InChIKey | PLLOZIMWGUSLET-FQJWXSKASA-N |
| Molecular Weight | 444.700 g/mol |
| SMILES | O[C@@]([C@@]1(C[C@](C\C(C1=C)=C/C=C/1[C@]2([C@@]([C@](CC2)(C(CCCC(O)(C)C)C)[H])(CCC1)C)[H])(O)[H])[H])(C)[H] |
| SPLASH | splash10-000i-0901000000-603361802620d382e3f9 |
| Source of Spectrum | J-58-7215-4 |
| Wiley ID | 1386191 |