| SpectraBase Compound ID | BnTLe5rRT4P |
|---|---|
| InChI | InChI=1S/C26H44O4/c1-17(7-5-13-25(2,3)30)20-11-12-21-19(8-6-14-26(20,21)4)10-9-18-15-22(27)24(29)23(28)16-18/h9-10,17,20-24,27-30H,5-8,11-16H2,1-4H3/b18-9-,19-10+/t17-,20-,21+,22+,23-,24-,26-/m1/s1 |
| InChIKey | CAGYDFRJDSWOLS-LWMHVRHHSA-N |
| Mol Weight | 420.6 g/mol |
| Molecular Formula | C26H44O4 |
| Exact Mass | 420.32396 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 16fs5O99oe |
|---|---|
| Name | 1.beta.,2.alpha.,25-Trihydroxy-19-nor-vitamin D3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H44O4 |
| InChI | InChI=1S/C26H44O4/c1-17(7-5-13-25(2,3)30)20-11-12-21-19(8-6-14-26(20,21)4)10-9-18-15-22(27)24(29)23(28)16-18/h9-10,17,20-24,27-30H,5-8,11-16H2,1-4H3/b18-9-,19-10+/t17-,20-,21+,22+,23-,24-,26-/m1/s1 |
| InChIKey | CAGYDFRJDSWOLS-LWMHVRHHSA-N |
| Ionization Type | EI Positive ion |
| Literature Reference DOI | 10.1021/jm900711d |
| Molecular Weight | 420.634 g/mol |
| Reported Formula | C26H44O4 |
| SMILES | O[C@]1(C\C(C[C@]([C@]1(O)[H])(O)[H])=C\C=C/1CCC[C@]2([C@]1(CC[C@@]2([C@](C)(CCCC(C)(C)O)[H])[H])[H])C)[H] |
| SPLASH | splash10-0aou-9200000000-8fcddb462b6876ea376f |
| Source of Spectrum | AF-52-SM9-5 |
| Wiley ID | 1873629 |