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16a-Acetamido-3-methoxy-1,3,5(10)-estratriene

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16a-Acetamido-3-methoxy-1,3,5(10)-estratriene
SpectraBase Compound ID AaVIpDxvsSl
InChI InChI=1S/C21H29NO2/c1-13(23)22-15-11-20-19-6-4-14-10-16(24-3)5-7-17(14)18(19)8-9-21(20,2)12-15/h5,7,10,15,18-20H,4,6,8-9,11-12H2,1-3H3,(H,22,23)
InChIKey JTYVSFRXSUXCPI-UHFFFAOYSA-N
Mol Weight 327.47 g/mol
Molecular Formula C21H29NO2
Exact Mass 327.219829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID mIkFXHSM0f
Name 16a-Acetamido-3-methoxy-1,3,5(10)-estratriene
CAS Registry Number 74055-50-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H29NO2
InChI InChI=1S/C21H29NO2/c1-13(23)22-15-11-20-19-6-4-14-10-16(24-3)5-7-17(14)18(19)8-9-21(20,2)12-15/h5,7,10,15,18-20H,4,6,8-9,11-12H2,1-3H3,(H,22,23)
InChIKey JTYVSFRXSUXCPI-UHFFFAOYSA-N
Instrument Name Jeol PFT-100
Literature Reference G. Engelhardt, D. Zeigan, B. Schoenecker, Org. Magn. Resonance 12, 628 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3