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3-Methoxy-16a-bromo-17a-acetoxy.delta. 1,3,5(10)-estratriene

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3-Methoxy-16a-bromo-17a-acetoxy.delta. 1,3,5(10)-estratriene
SpectraBase Compound ID CWKUYSm9t8z
InChI InChI=1S/C21H27BrO3/c1-12(23)25-20-19(22)11-18-17-6-4-13-10-14(24-3)5-7-15(13)16(17)8-9-21(18,20)2/h5,7,10,16-20H,4,6,8-9,11H2,1-3H3
InChIKey CDUIFEOYYKIYKH-UHFFFAOYSA-N
Mol Weight 407.35 g/mol
Molecular Formula C21H27BrO3
Exact Mass 406.114358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4hxAoK7iu4I
Name 3-Methoxy-16b-bromo-17a-acetoxy.delta. 1,3,5(10)-estratriene
CAS Registry Number 55768-39-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H27BrO3
InChI InChI=1S/C21H27BrO3/c1-12(23)25-20-19(22)11-18-17-6-4-13-10-14(24-3)5-7-15(13)16(17)8-9-21(18,20)2/h5,7,10,16-20H,4,6,8-9,11H2,1-3H3
InChIKey CDUIFEOYYKIYKH-UHFFFAOYSA-N
Literature Reference J.W. Blunt, J.B. Stothers, Org. Magn. Resonance 9, 439 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3