| SpectraBase Compound ID | 7s5ZYi58hTT |
|---|---|
| InChI | InChI=1S/C30H50O3/c1-7-8-10-24(19-29(4,5)33)20(2)25-14-15-26-23(11-9-16-30(25,26)6)13-12-22-17-27(31)21(3)28(32)18-22/h12-13,20,24-28,31-33H,3,7-11,14-19H2,1-2,4-6H3/b23-13+/t20-,24+,25-,26+,27-,28-,30-/m1/s1 |
| InChIKey | DOQSQKAGYRKVHH-HUANKBEQSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C30H50O3 |
| Exact Mass | 458.375995 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HrN4j4fraMp |
|---|---|
| Name | 22S-Butyl-2-methylidene-19,24-dinor-1.alpha.,25-dihydroxyvitaminD3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O3 |
| InChI | InChI=1S/C30H50O3/c1-7-8-10-24(19-29(4,5)33)20(2)25-14-15-26-23(11-9-16-30(25,26)6)13-12-22-17-27(31)21(3)28(32)18-22/h12-13,20,24-28,31-33H,3,7-11,14-19H2,1-2,4-6H3/b23-13+/t20-,24+,25-,26+,27-,28-,30-/m1/s1 |
| InChIKey | DOQSQKAGYRKVHH-HUANKBEQSA-N |
| Instrument Name | a JEOL JMS D-300 and JEOL JMS-HX110A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm100649d |
| Molecular Weight | 458.727 g/mol |
| Reported Formula | C30H50O3 |
| SMILES | OC(C[C@@]([C@]([C@@]1([C@]2(CCC\C(=C/C=C3C[C@](C([C@@](C3)(O)[H])=C)(O)[H])[C@@]2(CC1)[H])C)[H])(C)[H])(CCCC)[H])(C)C |
| SPLASH | splash10-014r-8900200000-e0c1cf047bae11d0588d |
| Source of Spectrum | AF-53-5821-4c |
| Wiley ID | 1846234 |