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3-Methoxy-16-(4-methoxybenzylidene)estra-1(10),2,4-trien-17-ol

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3-Methoxy-16-(4-methoxybenzylidene)estra-1(10),2,4-trien-17-ol
SpectraBase Compound ID 7pu13CfNxff
InChI InChI=1S/C27H32O3/c1-27-13-12-23-22-11-9-21(30-3)15-18(22)6-10-24(23)25(27)16-19(26(27)28)14-17-4-7-20(29-2)8-5-17/h4-5,7-9,11,14-15,23-26,28H,6,10,12-13,16H2,1-3H3/b19-14+
InChIKey YMJKZILDEATXRU-XMHGGMMESA-N
Mol Weight 404.6 g/mol
Molecular Formula C27H32O3
Exact Mass 404.235145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7HjMOttjOaD
Name 3-Methoxy-16-(4-methoxybenzylidene)estra-1(10),2,4-trien-17-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.235144887 u
Formula C27H32O3
InChI InChI=1S/C27H32O3/c1-27-13-12-23-22-11-9-21(30-3)15-18(22)6-10-24(23)25(27)16-19(26(27)28)14-17-4-7-20(29-2)8-5-17/h4-5,7-9,11,14-15,23-26,28H,6,10,12-13,16H2,1-3H3/b19-14+
InChIKey YMJKZILDEATXRU-XMHGGMMESA-N
Molecular Weight 404.550 g/mol
SMILES OC1\C(=C\C2=CC=C(C=C2)OC)CC2C1(CCC1C=3C(=CC(=CC3)OC)CCC21)C