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Z-GUGGULSTERONE;PREGN-4,17-(20)-TRANS-DIENE-3,16-DIONE
SpectraBase Compound ID 75t2nyUckWT
InChI InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15?,17?,18?,20-,21+/m0/s1
InChIKey WDXRGPWQVHZTQJ-XCTJHIRPSA-N
Mol Weight 312.45 g/mol
Molecular Formula C21H28O2
Exact Mass 312.20893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AgpCuqjwkuC
Name Z-GUGGULSTERONE;PREGN-4,17-(20)-TRANS-DIENE-3,16-DIONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O2
InChI InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15?,17?,18?,20-,21+/m0/s1
InChIKey WDXRGPWQVHZTQJ-XCTJHIRPSA-N
Literature Reference Author T.HUNG,H.STUPPNER,E.P.ELLMERER-MUELLER,D.SCHOLZ,D.EIGNER,M.P .MANANDHAR
Literature Reference Citation PHYTOCHEM.,39,1403(1995)
Literature Reference DOI 10.1016/0031-9422(95)00113-L
Molecular Weight 312.452 g/mol
Solvent CDCl3
Source File Reference UWMZ7751