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17-BETA-(ACETYLOXY)-4-METHYLESTRA-1,3,5(10)-TRIEN-6-ON

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17-BETA-(ACETYLOXY)-4-METHYLESTRA-1,3,5(10)-TRIEN-6-ON
SpectraBase Compound ID DipVDU5uH8V
InChI InChI=1S/C21H26O3/c1-12-5-4-6-15-14-9-10-21(3)17(7-8-19(21)24-13(2)22)16(14)11-18(23)20(12)15/h4-6,14,16-17,19H,7-11H2,1-3H3/t14-,16-,17+,19+,21+/m1/s1
InChIKey HCNLQRDTQVDYKZ-ISXKRXIRSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GKTblryshrc
Name 17β-hydroxy-4-methylestra-1,3,5(10)-trien-6-one, acetate
Source of Sample J. W. Blunt, J. B. Stothers Org. Magn. Resonance 9, 439(1977)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-12-5-4-6-15-14-9-10-21(3)17(7-8-19(21)24-13(2)22)16(14)11-18(23)20(12)15/h4-6,14,16-17,19H,7-11H2,1-3H3/t14-,16-,17+,19+,21+/m1/s1
InChIKey HCNLQRDTQVDYKZ-ISXKRXIRSA-N
Molecular Weight 326.44
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Not Reported