| SpectraBase Compound ID | GdezsDXJfV4 |
|---|---|
| InChI | InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1 |
| InChIKey | QYSXJUFSXHHAJI-YRZJJWOYSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C27H44O |
| Exact Mass | 384.339216 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | F4qtTaZA8uy |
|---|---|
| Name | Cholecalciferol |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | V3808 |
| CAS Registry Number | 67-97-0 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O |
| InChI | InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1 |
| InChIKey | QYSXJUFSXHHAJI-YRZJJWOYSA-N |
| Observed nucleus | 13C |
| Purity | >=99%, crystalline |
| Solvent | CDCl3 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | (+)-Vitamin D3 7-Dehydrocholesterol activated Activated 7-dehydrocholesterol Calciol |
| Wiley ID | SIAL_13CNMR_013003 |