| SpectraBase Compound ID | IXqdx3WGCHD |
|---|---|
| InChI | InChI=1S/C21H30O3/c1-13-16(11-17(23)12-20(13)24)7-6-15-5-4-10-21(3)18(14(2)22)8-9-19(15)21/h6-7,17-20,23-24H,1,4-5,8-12H2,2-3H3/b15-6+,16-7-/t17-,18?,19?,20+,21-/m1/s1 |
| InChIKey | FHZGCRJITJMPKK-FZCGPPLRSA-N |
| Mol Weight | 330.47 g/mol |
| Molecular Formula | C21H30O3 |
| Exact Mass | 330.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5pmqkcNwvx3 |
|---|---|
| Name | 1-.alpha.-Hydroxy-20-oxo-pregnacalciferol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O3 |
| InChI | InChI=1S/C21H30O3/c1-13-16(11-17(23)12-20(13)24)7-6-15-5-4-10-21(3)18(14(2)22)8-9-19(15)21/h6-7,17-20,23-24H,1,4-5,8-12H2,2-3H3/b15-6+,16-7-/t17-,18?,19?,20+,21-/m1/s1 |
| InChIKey | FHZGCRJITJMPKK-FZCGPPLRSA-N |
| Molecular Weight | 330.468 g/mol |
| SMILES | O[C@@]1(C\C(C([C@](C1)(O)[H])=C)=C/C=C/1C2[C@@](C(CC2)C(=O)C)(CCC1)C)[H] |
| SPLASH | splash10-001r-0903000000-2ce2337a5163da7710ff |
| Source of Spectrum | AT-35-2298-6 |
| Wiley ID | 852667 |