| SpectraBase Compound ID | Gwd99aoh28r |
|---|---|
| InChI | InChI=1S/C31H54O5/c1-22(10-8-16-29(2,3)34)25-14-15-26-24(11-9-17-30(25,26)4)13-12-23-20-27(33)31(5,35)28(21-23)36-19-7-6-18-32/h12-13,22,25-28,32-35H,6-11,14-21H2,1-5H3/b23-12-,24-13+/t22-,25-,26+,27-,28-,30-,31-/m1/s1 |
| InChIKey | PDUUBXXHDWBVEW-OTGZHPCDSA-N |
| Mol Weight | 506.8 g/mol |
| Molecular Formula | C31H54O5 |
| Exact Mass | 506.397125 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DlTyaDsRkOG |
|---|---|
| Name | 1.alpha.-(4-Hydroxybutoxy)-2.beta.,25-dihydroxy-2.alpha.-methyl-19-norvitamin D3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H54O5 |
| InChI | InChI=1S/C31H54O5/c1-22(10-8-16-29(2,3)34)25-14-15-26-24(11-9-17-30(25,26)4)13-12-23-20-27(33)31(5,35)28(21-23)36-19-7-6-18-32/h12-13,22,25-28,32-35H,6-11,14-21H2,1-5H3/b23-12-,24-13+/t22-,25-,26+,27-,28-,30-,31-/m1/s1 |
| InChIKey | PDUUBXXHDWBVEW-OTGZHPCDSA-N |
| Instrument Name | JEOL JMSAX505HA |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm400537h |
| Molecular Weight | 506.768 g/mol |
| SMILES | OC(CCC[C@]([C@]1(CC[C@]2(\C(=C\C=C/3C[C@]([C@@]([C@@](C3)(O)[H])(O)C)(OCCCCO)[H])CCC[C@]12C)[H])[H])(C)[H])(C)C |
| SPLASH | splash10-004i-9000000000-750bb6da8d308c1f6b61 |
| Source of Spectrum | AF-56-6757-2e |
| Wiley ID | 1854601 |