Vitamin D3
Compound with spectra: 1 NMR
| SpectraBase Compound ID | F7cTuEeFgAB |
|---|---|
| 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+/m0/s1 |
| InChIKey | QYSXJUFSXHHAJI-DGPZQTHBSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C27H44O |
| Exact Mass | 384.339216 g/mol |
| Enantiomer InChIKey | QYSXJUFSXHHAJI-FHHNBPIJSA-N |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
9,10-Secochola-5,7,10(19)-triene-3,24-diol, (3.beta.,5Z,7E)-
25-HYDROXY-5,6-TRANS-VITAMIN-D3
25S,26-Dihydroxy-cholecalciferol
(3.beta,5Z,7E)-24-Oxa-9,10-secocholesta-5,7,10(19)-trien-3-ol
Keto-trans-vitamin D3
22-Hydroxy-homopregnacalcifcrol
9,10-Secocholesta-1(10),5,7-trien-3-ol, (3.beta.,5E,7E)-
9,10-Secocholesta-5,7-diene-3,25-diol, (3.beta.,5E,7E,10.alpha.)-
| Title | Journal or Book | Year |
|---|---|---|
| Conformational analysis of vitamin D and analogs. 1. Carbon-13 and proton nuclear magnetic resonance study | The Journal of Organic Chemistry | 1977 |
This compound is available in the following databases:
KnowItAll IR Spectral Library
Author: Wiley
Wiley's KnowItAll IR Spectral Library offers access to the world's largest collection of high-quality infrared spectra, including the renowned Sadtler databases. Learn more.
KnowItAll GC-MS Library
Author: Wiley
The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.
Wiley Registry of Mass Spectral Data 2026
Author: Wiley
The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.