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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID pslwXVEM6X
Name 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 Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H40O5
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
Literature Reference Author S.S.KORDE,R.KATOCH,R.A.UDASI,G.K.TRIVEDI
Literature Reference Citation MAGN.RES.CHEM.,37,594(1999)
Literature Reference DOI 10.1002/(sici)1097-458x(199908)37:8<594::aid-mrc484>3.0.co;2-j
Molecular Weight 432.601 g/mol
Solvent CDCl3
Source File Reference UWRU4081