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16a-Acetamido-3-methoxy-17a-hydroxy-1,3,5(10)-estratriene

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16a-Acetamido-3-methoxy-17a-hydroxy-1,3,5(10)-estratriene
SpectraBase Compound ID 7mVpG41p1jo
InChI InChI=1S/C21H29NO3/c1-12(23)22-19-11-18-17-6-4-13-10-14(25-3)5-7-15(13)16(17)8-9-21(18,2)20(19)24/h5,7,10,16-20,24H,4,6,8-9,11H2,1-3H3,(H,22,23)
InChIKey MDMCLHJBUQLHHR-UHFFFAOYSA-N
Mol Weight 343.47 g/mol
Molecular Formula C21H29NO3
Exact Mass 343.214744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IWYaNkb1BkM
Name 16a-Acetamido-3-methoxy-17b-hydroxy-1,3,5(10)-estratriene
CAS Registry Number 51946-47-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H29NO3
InChI InChI=1S/C21H29NO3/c1-12(23)22-19-11-18-17-6-4-13-10-14(25-3)5-7-15(13)16(17)8-9-21(18,2)20(19)24/h5,7,10,16-20,24H,4,6,8-9,11H2,1-3H3,(H,22,23)
InChIKey MDMCLHJBUQLHHR-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