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

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3-methoxy-16-(4-methoxybenzylidene)estra-1(10),2,4-trien-17-yl acetate
SpectraBase Compound ID GSQfB7e3CMZ
InChI InChI=1S/C29H34O4/c1-18(30)33-28-21(15-19-5-8-22(31-3)9-6-19)17-27-26-11-7-20-16-23(32-4)10-12-24(20)25(26)13-14-29(27,28)2/h5-6,8-10,12,15-16,25-28H,7,11,13-14,17H2,1-4H3/b21-15+
InChIKey JPPVXERJZNMYHM-RCCKNPSSSA-N
Mol Weight 446.6 g/mol
Molecular Formula C29H34O4
Exact Mass 446.24571 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LwYB1kt5C4i
Name 3-methoxy-16-(4-methoxybenzylidene)estra-1(10),2,4-trien-17-yl acetate
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/C29H34O4/c1-18(30)33-28-21(15-19-5-8-22(31-3)9-6-19)17-27-26-11-7-20-16-23(32-4)10-12-24(20)25(26)13-14-29(27,28)2/h5-6,8-10,12,15-16,25-28H,7,11,13-14,17H2,1-4H3/b21-15+
InChIKey JPPVXERJZNMYHM-RCCKNPSSSA-N
NMR Offset 15.3512
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_SBI_36227_32765
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: 1911516; SBI_ID: SBI-032769
Temperature 318 °C