SpectraBase Compound ID | KiYb6SWt4xe |
---|---|
InChI | InChI=1S/C36H53NO4/c1-23(2)9-8-10-24(3)28-16-17-29-27-15-18-31-34(4,5)32(20-22-36(31,7)30(27)19-21-35(28,29)6)41-33(38)25-11-13-26(14-12-25)37(39)40/h11-14,18,23-24,27-30,32H,8-10,15-17,19-22H2,1-7H3/t24-,27+,28-,29+,30+,32+,35-,36-/m1/s1 |
InChIKey | ZMQWKMXCCCFGGS-VCNURGMYSA-N |
Mol Weight | 563.8 g/mol |
Molecular Formula | C36H53NO4 |
Exact Mass | 563.397459 g/mol |
Enantiomer InChIKey | ZMQWKMXCCCFGGS-NQKZQGRUSA-N |
Title | Journal or Book | Year |
---|---|---|
Conformational equilibriums in vitamin D. Synthesis and proton and carbon-13 dynamic nuclear magnetic resonance study of 4,4-dimethylvitamin D3, 4,4-dimethyl-1.alpha.-hydroxyvitamin D3, and 4,4-dimethyl-1.alpha.-hydroxyepivitamin D3 | Journal of the American Chemical Society | 1978 |
This compound is available in the following databases:
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.
Search your unknown spectrum against the world's largest collection of reference spectra
KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.