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16-Benzylidene-3-methoxyestra-1,3,5(10)-trien-17-one

View entire compound with spectra: 2 NMR

16-Benzylidene-3-methoxyestra-1,3,5(10)-trien-17-one
SpectraBase Compound ID WAPtfGbkim
InChI InChI=1S/C26H28O2/c1-26-13-12-22-21-11-9-20(28-2)15-18(21)8-10-23(22)24(26)16-19(25(26)27)14-17-6-4-3-5-7-17/h3-7,9,11,14-15,22-24H,8,10,12-13,16H2,1-2H3/b19-14+
InChIKey NNZFUMSSDBUFQN-XMHGGMMESA-N
Mol Weight 372.51 g/mol
Molecular Formula C26H28O2
Exact Mass 372.20893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 27LmC8UmWAR
Name 16-Benzylidene-3-methoxyestra-1,3,5(10)-trien-17-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.208930140 u
Formula C26H28O2
InChI InChI=1S/C26H28O2/c1-26-13-12-22-21-11-9-20(28-2)15-18(21)8-10-23(22)24(26)16-19(25(26)27)14-17-6-4-3-5-7-17/h3-7,9,11,14-15,22-24H,8,10,12-13,16H2,1-2H3/b19-14+
InChIKey NNZFUMSSDBUFQN-XMHGGMMESA-N
Molecular Weight 372.508 g/mol
SMILES C12(C(C3CCC4=C(C3CC2)C=CC(OC)=C4)C\C(C1=O)=C/C1=CC=CC=C1)C