| SpectraBase Compound ID | 1aOeRN8WEwT |
|---|---|
| InChI | InChI=1S/C22H34O2/c1-15-6-9-19(24)13-18(15)8-7-17-5-4-12-22(3)20(16(2)14-23)10-11-21(17)22/h7-8,16,19-21,23-24H,1,4-6,9-14H2,2-3H3/b17-7+,18-8-/t16-,19+,20-,21+,22-/m1/s1 |
| InChIKey | WQIMVXZKIZUURX-GOYQYJLRSA-N |
| Mol Weight | 330.5 g/mol |
| Molecular Formula | C22H34O2 |
| Exact Mass | 330.25588 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9717Yd0tIMY |
|---|---|
| Name | 22-Hydroxy-homopregnacalcifcrol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H34O2 |
| InChI | InChI=1S/C22H34O2/c1-15-6-9-19(24)13-18(15)8-7-17-5-4-12-22(3)20(16(2)14-23)10-11-21(17)22/h7-8,16,19-21,23-24H,1,4-6,9-14H2,2-3H3/b17-7+,18-8-/t16-,19+,20-,21+,22-/m1/s1 |
| InChIKey | WQIMVXZKIZUURX-GOYQYJLRSA-N |
| Instrument Name | Micromass AutoSpec |
| Ionization Type | EI |
| Molecular Weight | 330.512 g/mol |
| SMILES | O[C@]1(CCC(\C(=C/C=C\2CCC[C@@]3([C@@]([C@@](CO)(C)[H])(CC[C@@]23[H])[H])C)C1)=C)[H] |
| SPLASH | splash10-014r-0912000000-6f85894372adc12ba254 |
| Source of Spectrum | WO2012065050A1 |
| Wiley ID | 1845400 |