| SpectraBase Compound ID | Dj39qYuXoHH |
|---|---|
| InChI | InChI=1S/C30H52O3/c1-6-7-10-23-15-17-30(5)27(21(2)9-8-16-29(3,4)33)13-14-28(30)26(23)12-11-22-18-24(31)20-25(32)19-22/h11-12,21,23-25,27-28,31-33H,6-10,13-20H2,1-5H3/b26-12+/t21-,23-,24-,25-,27-,28+,30-/m1/s1 |
| InChIKey | HGPWGYLACPHOSW-ZOBUFXTASA-N |
| Mol Weight | 460.7 g/mol |
| Molecular Formula | C30H52O3 |
| Exact Mass | 460.391646 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HoytnudIqWA |
|---|---|
| Name | 9.alpha.-Butyl-1.alpha.,25-dihydroxy-19-norvitamin D3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H52O3 |
| InChI | InChI=1S/C30H52O3/c1-6-7-10-23-15-17-30(5)27(21(2)9-8-16-29(3,4)33)13-14-28(30)26(23)12-11-22-18-24(31)20-25(32)19-22/h11-12,21,23-25,27-28,31-33H,6-10,13-20H2,1-5H3/b26-12+/t21-,23-,24-,25-,27-,28+,30-/m1/s1 |
| InChIKey | HGPWGYLACPHOSW-ZOBUFXTASA-N |
| Instrument Name | JEOL JMSAX505HA |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm400537h |
| Molecular Weight | 460.743 g/mol |
| SMILES | OC(CCC[C@]([C@]1(CC[C@]2(\C(=C\C=C3C[C@](C[C@@](C3)(O)[H])(O)[H])[C@@](CC[C@]12C)(CCCC)[H])[H])[H])(C)[H])(C)C |
| SPLASH | splash10-01ox-0013900000-2f30a496def5c5285ce3 |
| Source of Spectrum | AF-56-6757-4a |
| Wiley ID | 1854606 |