| SpectraBase Compound ID | KkDAAqEcleJ |
|---|---|
| InChI | InChI=1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25?,26?,28-/m1/s1 |
| InChIKey | ZGLHBRQAEXKACO-DBEIRRQFSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C28H44O3 |
| Exact Mass | 428.329045 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | O0LI6mZ2O |
|---|---|
| Name | 1,25-(OH)2D2 |
| Alternate Name(s) | 1,25-Dihydroxyergocalciferol 1alpha,25-dihydroxyvitamin D2 9,10-Segoergosta-5,7,10(19),22-tetraene-1,3,25-triol, (3beta,5Z,7E,22E)- (1R,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol (1R,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol (1R,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(E,2R,5S)-5,6-dimethyl-6-oxidanyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol |
| CAS Registry Number | 55248-15-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H44O3 |
| InChI | InChI=1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25?,26?,28-/m1/s1 |
| InChIKey | ZGLHBRQAEXKACO-DBEIRRQFSA-N |
| Molecular Weight | 428.657 g/mol |
| SMILES | OC1C[C@@](C\C(C1=C)=C/C=C/1C2[C@@]([C@](CC2)([C@@](\C=C\[C@@](C(O)(C)C)(C)[H])(C)[H])[H])(CCC1)C)(O)[H] |
| SPLASH | splash10-0536-9610000000-ad1d3764230d3f697d1d |
| Source of Spectrum | D-14-1255-6 |
| Wiley ID | 1380881 |