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3-Iodo-17b-acetoxy-estra-1,3,5(10)-triene

View entire compound with spectra: 2 NMR

3-Iodo-17b-acetoxy-estra-1,3,5(10)-triene
SpectraBase Compound ID 5ulbrzHru6s
InChI InChI=1S/C20H25IO2/c1-12(22)23-19-8-7-18-17-5-3-13-11-14(21)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19H,3,5,7-10H2,1-2H3
InChIKey GKMWSNXUHMNIAP-UHFFFAOYSA-N
Mol Weight 424.32 g/mol
Molecular Formula C20H25IO2
Exact Mass 424.089925 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6rNExF7KW4C
Name 3-Iodo-17b-acetoxy-estra-1,3,5(10)-triene
CAS Registry Number 53214-66-7
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H25IO2
InChI InChI=1S/C20H25IO2/c1-12(22)23-19-8-7-18-17-5-3-13-11-14(21)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19H,3,5,7-10H2,1-2H3
InChIKey GKMWSNXUHMNIAP-UHFFFAOYSA-N
Instrument Name Varian HA-100
Literature Reference T.A. Wittstruck, K.I. Williams, J. Org. Chem. 38, 1542 (1973).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Dioxane