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3-hydroxy-16-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]androst-5-en-17-one
SpectraBase Compound ID 9JVF9eFT5oF
InChI InChI=1S/C26H36N2O2/c1-15-21(16(2)28(5)27-15)12-17-13-23-20-7-6-18-14-19(29)8-10-25(18,3)22(20)9-11-26(23,4)24(17)30/h6,12,19-20,22-23,29H,7-11,13-14H2,1-5H3/b17-12-
InChIKey LLACSJNGOUDMMQ-ATVHPVEESA-N
Mol Weight 408.6 g/mol
Molecular Formula C26H36N2O2
Exact Mass 408.277678 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5B0a1UB4n3z
Name 3-hydroxy-16-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]androst-5-en-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/C26H36N2O2/c1-15-21(16(2)28(5)27-15)12-17-13-23-20-7-6-18-14-19(29)8-10-25(18,3)22(20)9-11-26(23,4)24(17)30/h6,12,19-20,22-23,29H,7-11,13-14H2,1-5H3/b17-12-
InChIKey LLACSJNGOUDMMQ-ATVHPVEESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10417
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: 1003261; UBI_ID: UBI-010420
Temperature 318 °C