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3-methoxy-16-(4-methoxybenzylidene)estra-1(10),2,4-trien-17-one

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3-methoxy-16-(4-methoxybenzylidene)estra-1(10),2,4-trien-17-one
SpectraBase Compound ID AjOBYbEK8HX
InChI InChI=1S/C27H30O3/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/h4-5,7-9,11,14-15,23-25H,6,10,12-13,16H2,1-3H3/b19-14+
InChIKey JKKLUSGJEQWZSQ-XMHGGMMESA-N
Mol Weight 402.53 g/mol
Molecular Formula C27H30O3
Exact Mass 402.219495 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J5KDja4r5L1
Name 3-methoxy-16-(4-methoxybenzylidene)estra-1(10),2,4-trien-17-one
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H30O3/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/h4-5,7-9,11,14-15,23-25H,6,10,12-13,16H2,1-3H3/b19-14+
InChIKey JKKLUSGJEQWZSQ-XMHGGMMESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31982
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 1844430; SBI_ID: SBI-031986
Temperature 318 °C