(1S,4S)-(7E)-1,4-DIHYDROXY-A-HOMO-19-NOR-9,10-SECO-CHOLESTA-5,7-DIENE;(VITAMIN-D-DERIVATIVE)
Compound with spectra: 1 NMR
| SpectraBase Compound ID | 7wAi9qAgNCH |
|---|---|
| InChI | InChI=1S/C27H46O2/c1-19(2)7-5-8-20(3)25-14-15-26-22(9-6-16-27(25,26)4)11-10-21-17-23(28)12-13-24(29)18-21/h10-11,19-20,23-26,28-29H,5-9,12-18H2,1-4H3/b22-11+/t20-,23+,24+,25-,26?,27-/m1/s1 |
| InChIKey | YMBNJMCCFCSRBU-UCKMEHMNSA-N |
| Mol Weight | 402.7 g/mol |
| Molecular Formula | C27H46O2 |
| Exact Mass | 402.349781 g/mol |
| Enantiomer InChIKey | YMBNJMCCFCSRBU-RHEHOZSVSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
(1R,3R)-5-[(2E)-2-[(7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
2.alpha.-Methyl-19,26,27-trinor-(20S)-1.alpha.-hydroxyvitamin D3
2.beta.-Methyl-19,26,27-trinor-(20S)-1.alpha.-hydroxyvitamin D3
(20S)-2.alpha.-methyl-19,26,27-trinor-1.alpha.,25-dihydroxycalciferol
2-Methylidene-19,25,26,27-tetranor-1.alpha.,24-dihydroxyvitaminD3
2.alpha.-Methyl-19-nor-(20S)-1.alpha.-hydroxy-bishomopregnacalciferol
Acetaldehyde, [1-[5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]-, [1R-[1.alpha.(R*),3a.beta.,4E,7a.alpha.]]-
(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,1R)-7-ethyl-7-hydroxy-1-methyl-non-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
((1R,3R)-5-(2-((1R,3aS,7aR)-1-isopropyl-7a-methyldihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)cyclohexane-1,3-diyl)bis(oxy)bis(tert-butyldimethylsilane)
| Title | Journal or Book | Year |
|---|---|---|
| Studies on vitamin D (calciferol) and its analogs. 21. Solvolytic ring expansions of vitamin D3. Formation of 1,4-dihydroxy-A-homo-19-nor-9,10-secocholesta-5,7-diene | The Journal of Organic Chemistry | 1981 |
KnowItAll NMR Spectral Library
Author: Wiley
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