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16-BETA-ACETYLOXY-PREGN-4-17-(20)-TRANS-DIEN-3-ONE
SpectraBase Compound ID 13s2IOuB1n5
InChI InChI=1S/C23H32O3/c1-5-18-21(26-14(2)24)13-20-17-7-6-15-12-16(25)8-10-22(15,3)19(17)9-11-23(18,20)4/h5,12,17,19-21H,6-11,13H2,1-4H3/b18-5+/t17?,19?,20?,21-,22-,23+/m0/s1
InChIKey KQTRIZLQZKQLOA-JKSYEYPWSA-N
Mol Weight 356.5 g/mol
Molecular Formula C23H32O3
Exact Mass 356.235145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FFhQopPqYAK
Name 16-BETA-ACETYLOXY-PREGN-4-17-(20)-TRANS-DIEN-3-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H32O3
InChI InChI=1S/C23H32O3/c1-5-18-21(26-14(2)24)13-20-17-7-6-15-12-16(25)8-10-22(15,3)19(17)9-11-23(18,20)4/h5,12,17,19-21H,6-11,13H2,1-4H3/b18-5+/t17?,19?,20?,21-,22-,23+/m0/s1
InChIKey KQTRIZLQZKQLOA-JKSYEYPWSA-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 356.505 g/mol
Solvent CDCl3
Source File Reference UWMZ7752