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17β-Estradiol

View entire compound with spectra: 8 NMR, 5 FTIR, 2 Raman, and 6 MS (GC)

17β-Estradiol
SpectraBase Compound ID 4hlPfMhVOrc
InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
InChIKey VOXZDWNPVJITMN-ZBRFXRBCSA-N
Mol Weight 272.39 g/mol
Molecular Formula C18H24O2
Exact Mass 272.17763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BsM9LYB6srv
Name ESTRA-1,3,5(10)-TRIEN-3,17-BETA-DIOL
Compound Number 360
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H24O2
InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
InChIKey VOXZDWNPVJITMN-ZBRFXRBCSA-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 272.387 g/mol
Solvent DIOXANE
Source File Reference UNIW79