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4-HYDROXYESTRADIOL-3,4,17-TRIACETATE

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4-HYDROXYESTRADIOL-3,4,17-TRIACETATE
SpectraBase Compound ID A6oiB039PFi
InChI InChI=1S/C24H30O6/c1-13(25)28-21-9-7-16-17-11-12-24(4)20(8-10-22(24)29-14(2)26)18(17)5-6-19(16)23(21)30-15(3)27/h7,9,17-18,20,22H,5-6,8,10-12H2,1-4H3/t17?,18?,20?,22-,24-/m0/s1
InChIKey FGYUONWDBPSWLZ-XEMXANLGSA-N
Mol Weight 414.5 g/mol
Molecular Formula C24H30O6
Exact Mass 414.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5mWJqIcLJZS
Name 4-HYDROXYESTRADIOL-3,4,17-TRIACETATE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H30O6
InChI InChI=1S/C24H30O6/c1-13(25)28-21-9-7-16-17-11-12-24(4)20(8-10-22(24)29-14(2)26)18(17)5-6-19(16)23(21)30-15(3)27/h7,9,17-18,20,22H,5-6,8,10-12H2,1-4H3/t17?,18?,20?,22-,24-/m0/s1
InChIKey FGYUONWDBPSWLZ-XEMXANLGSA-N
Literature Reference Author H.MAJGIER-BARANOWSKA,J.N.BRIDSON,K.MARAT,J.F.TEMPLETON
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1967(1998)
Literature Reference DOI 10.1039/a709186i
Molecular Weight 414.499 g/mol
Solvent CDCl3
Source File Reference UWCP9130