| SpectraBase Compound ID | Ez2BCZfCNkJ |
|---|---|
| InChI | InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18?,22?,23?,24?,25-,27?/m1/s1/i29+2 |
| InChIKey | GMRQFYUYWCNGIN-DXLGGDRGSA-N |
| Mol Weight | 418.6 g/mol |
| Molecular Formula | C27H44O218O |
| Exact Mass | 418.33329 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7dpCvCJT3pX |
|---|---|
| Name | 1.alpha.-18O-1,25-dihydroxycholecalciferol |
| CAS Registry Number | 56009-14-4 |
| Comments | Original formula: C27H44O2[18O] |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O3 |
| InChI | InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18?,22?,23?,24?,25-,27?/m1/s1/i29+2 |
| InChIKey | GMRQFYUYWCNGIN-DXLGGDRGSA-N |
| Molecular Weight | 418.646 g/mol |
| SMILES | [18OH][C@@]1(CC(C\C(C1=C)=C/C=C/1C2C(C(CC2)C(CCCC(O)(C)C)C)(CCC1)C)O)[H] |
| SPLASH | splash10-06ri-0910000000-57acf75d7a622f02fa88 |
| Source of Spectrum | D-12-2557-2 |
| Wiley ID | 1376603 |