| SpectraBase Compound ID | AUoobIDaHV |
|---|---|
| InChI | InChI=1S/C26H42O3/c1-17(7-5-13-25(2,3)28)20-11-12-21-19(8-6-14-26(20,21)4)10-9-18-15-22(27)24-23(16-18)29-24/h9-10,17,20-24,27-28H,5-8,11-16H2,1-4H3/b18-9+,19-10+/t17-,20-,21+,22-,23-,24+,26-/m1/s1 |
| InChIKey | RGZNSLRVRXXNJK-GAXSSIJPSA-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 | HuaVhNiO591 |
|---|---|
| Name | 2.beta.,3.beta.-Epoxy-1.alpha.,25-dihydroxy-3-deoxy-19-nor-vitamin D3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H42O3 |
| InChI | InChI=1S/C26H42O3/c1-17(7-5-13-25(2,3)28)20-11-12-21-19(8-6-14-26(20,21)4)10-9-18-15-22(27)24-23(16-18)29-24/h9-10,17,20-24,27-28H,5-8,11-16H2,1-4H3/b18-9+,19-10+/t17-,20-,21+,22-,23-,24+,26-/m1/s1 |
| InChIKey | RGZNSLRVRXXNJK-GAXSSIJPSA-N |
| Ionization Type | EI Positive ion |
| Literature Reference DOI | 10.1021/jm900711d |
| Molecular Weight | 402.619 g/mol |
| Reported Formula | C26H42O3 |
| SMILES | O[C@]1([C@]2([C@@](C\C(=C\C=C/3CCC[C@@]4([C@@]([C@@](CCCC(C)(C)O)(C)[H])(CC[C@@]34[H])[H])C)C1)(O2)[H])[H])[H] |
| SPLASH | splash10-0aou-9010000000-c52db6a85d8184fdd015 |
| Source of Spectrum | AF-52-SM11-10 |
| Wiley ID | 1873627 |