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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 DuKP7fuvMQs
Name 17-BETA-(ACETYLOXY)-4-METHYLESTRA-1,3,5(10)-TRIEN-6-ON
Compound Number 407
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author J.W.BLUNT,J.B.STOTHERS
Literature Reference Citation ORG.MAGN.RES.,9,439(1977)
Literature Reference DOI 10.1002/mrc.1270090802
Molecular Weight 326.436 g/mol
Solvent CDCl3
Source File Reference UNIW115