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PUBOESTRENE;3-ACETOXY-17-OXO-ESTRA-1,3,5(10)-TRIENE

View entire compound with spectra: 6 NMR, and 4 MS (GC)

PUBOESTRENE;3-ACETOXY-17-OXO-ESTRA-1,3,5(10)-TRIENE
SpectraBase Compound ID 6RB3rJjfY6Q
InChI InChI=1S/C20H24O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-18H,3,5,7-10H2,1-2H3
InChIKey KDPQTPZDVJHMET-UHFFFAOYSA-N
Mol Weight 312.41 g/mol
Molecular Formula C20H24O3
Exact Mass 312.172545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 54swwSI06Uv
Name 3-Acetoxy-estra-1,3,5(10)-trien-17-one
CAS Registry Number 901-93-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H24O3
InChI InChI=1S/C20H24O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-18H,3,5,7-10H2,1-2H3
InChIKey KDPQTPZDVJHMET-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 Dioxane