VITAMIN-D3-PARA-NITROBENZOATE-ESTER
Compound with spectra: 1 NMR, and 3 MS (GC)
| SpectraBase Compound ID | 9Bfh2YYngY |
|---|---|
| InChI | InChI=1S/C34H47NO4/c1-23(2)8-6-9-25(4)31-19-20-32-26(10-7-21-34(31,32)5)12-13-28-22-30(18-11-24(28)3)39-33(36)27-14-16-29(17-15-27)35(37)38/h12-17,23,25,30-32H,3,6-11,18-22H2,1-2,4-5H3/b26-12+,28-13-/t25-,30+,31-,32?,34-/m1/s1 |
| InChIKey | RUYFLIRJKYFJGC-TZGQVTEVSA-N |
| Mol Weight | 533.8 g/mol |
| Molecular Formula | C34H47NO4 |
| Exact Mass | 533.350509 g/mol |
| Enantiomer InChIKey | RUYFLIRJKYFJGC-HBBQHMGSSA-N |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | BS-5-169-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | BS-5-170-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | BS-5-172-0 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
- O-(p-Nitrobenzoyl)-epi-trans-vitamin D[3]
- O-(p-Nitrobenzoyl)-vitamin D[3]
- O-(p-Nitrobenzoyl)-epi-vitamin D[3]
- (3S,5Z,7E)-9,10-secocholesta-5,7,10-trien-3-yl 4-nitrobenzoate
| 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 NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.
KnowItAll Mass Spectral 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.