| SpectraBase Compound ID | 7hjnXLauyZu |
|---|---|
| InChI | InChI=1S/C29H48O3/c1-19-25(30)17-21(18-26(19)31)10-11-22-9-8-14-29(7)23(12-13-24(22)29)20(2)27(3,4)15-16-28(5,6)32/h10-11,20,23-26,30-32H,1,8-9,12-18H2,2-7H3/b22-11+/t20-,23-,24+,25-,26-,29-/m1/s1 |
| InChIKey | MDKIZGHFZJHYNK-DVEMTOOJSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C29H48O3 |
| Exact Mass | 444.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3ACWc1Z79iF |
|---|---|
| Name | (20R)-1.alpha.,25-Dihydroxy-22,22-dimethyl-2-methylene-19-norvitamin D3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O3 |
| InChI | InChI=1S/C29H48O3/c1-19-25(30)17-21(18-26(19)31)10-11-22-9-8-14-29(7)23(12-13-24(22)29)20(2)27(3,4)15-16-28(5,6)32/h10-11,20,23-26,30-32H,1,8-9,12-18H2,2-7H3/b22-11+/t20-,23-,24+,25-,26-,29-/m1/s1 |
| InChIKey | MDKIZGHFZJHYNK-DVEMTOOJSA-N |
| Instrument Name | Micromass AutoSpec |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm300187x |
| Molecular Weight | 444.700 g/mol |
| Reported Formula | C29H48O3 |
| SMILES | O[C@@]1(CC(=C\C=C/2CCC[C@@]3([C@@]([C@](C(CCC(C)(C)O)(C)C)(C)[H])(CC[C@@]23[H])[H])C)C[C@](C1=C)(O)[H])[H] |
| SPLASH | splash10-0570-9800000000-9afa569c5f82e78a6b3e |
| Source of Spectrum | AF-55-SM12-5 |
| Wiley ID | 1852072 |