acetic acid [(3S,8S,9S,10R,13S,14S,16S,17S)-17-acetyl-16-glyceryl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
Compound with spectra: 1 NMR
![acetic acid [(3S,8S,9S,10R,13S,14S,16S,17S)-17-acetyl-16-glyceryl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester](/api/compound/E8mkTH0y4mi.png?ph=true&h=300&w=458 "acetic acid [(3S,8S,9S,10R,13S,14S,16S,17S)-17-acetyl-16-glyceryl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester")
| SpectraBase Compound ID | E8mkTH0y4mi |
|---|---|
| InChI | InChI=1S/C26H40O5/c1-15(28)24-17(11-19(30)14-27)12-23-21-6-5-18-13-20(31-16(2)29)7-9-25(18,3)22(21)8-10-26(23,24)4/h5,17,19-24,27,30H,6-14H2,1-4H3/t17-,19?,20+,21-,22+,23+,24+,25+,26+/m1/s1 |
| InChIKey | PTUJWMPWIHLKEK-DVWCVQCQSA-N |
| Mol Weight | 432.6 g/mol |
| Molecular Formula | C26H40O5 |
| Exact Mass | 432.287574 g/mol |
| Enantiomer InChIKey | PTUJWMPWIHLKEK-GAIYVCOISA-N |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
Pregn-5-en-20-one, 3-(acetyloxy)-16-bromo-, (3.beta.,16.alpha.)-
Pregn-5-en-20-one, 3-(acetyloxy)-16-chloro-, (3.beta.,16.alpha.)-
(3beta,16alpha)-3-(cyclopentyloxy)-20-oxopregn-5-ene-16-carbonitrile
(3S,8S,9S,10R,13S,14S,16R,17S)-17-Acetyl-10,13-dimethyl-3-((trimethylsilyl)oxy)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[A]phenanthrene-16-carbonitrile
Pregnelone carbonitrile, mono-TMS
(3S,10R,13S,16R,17S)-17-[(1Z)-1-methoxyiminoethyl]-10,13-dimethyl-16-(nitromethyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
5-Cholesten-3.beta.,26-diol-16-one diacetate
3-o-Acetyl-N-cbz-16-oxo-tetrahydrosolasodine
16-BETA-(ACETYLOXYMETHYL)-ANDROST-5-EN-3-BETA-17-BETA-DIOLACETATE
3,17a-Diacetoxy-16a-methyleneacetoxy.delta. 5(6)-androsten
| Title | Journal or Book | Year |
|---|---|---|
| Total assignment of1H and13C NMR spectra of pregnenolone and progesterone haptens using 2D NMR spectroscopy | Magnetic Resonance in Chemistry | 1999 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
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