(16alpha,17beta)-3-[(4-fluorobenzyl)oxy]estra-1(10),2,4-triene-16,17-diol

SpectraBase Compound ID	3pvi9UwMP97
InChI	InChI=1S/C25H29FO3/c1-25-11-10-20-19-9-7-18(29-14-15-2-5-17(26)6-3-15)12-16(19)4-8-21(20)22(25)13-23(27)24(25)28/h2-3,5-7,9,12,20-24,27-28H,4,8,10-11,13-14H2,1H3
InChIKey	GWXDJKCRYNAAKC-UHFFFAOYSA-N Google Search
Mol Weight	396.5 g/mol
Molecular Formula	C25H29FO3
Exact Mass	396.210073 g/mol

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SpectraBase Spectrum ID	JK19fTJfdPY
Name	(16alpha,17beta)-3-[(4-fluorobenzyl)oxy]estra-1(10),2,4-triene-16,17-diol
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/C25H29FO3/c1-25-11-10-20-19-9-7-18(29-14-15-2-5-17(26)6-3-15)12-16(19)4-8-21(20)22(25)13-23(27)24(25)28/h2-3,5-7,9,12,20-24,27-28H,4,8,10-11,13-14H2,1H3
InChIKey	GWXDJKCRYNAAKC-UHFFFAOYSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_13557
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: 200103; Labnumber: EXP02Gar002238; VK_ID: VK-013562
Synonyms	3-[(4-fluorobenzyl)oxy]estra-1(10),2,4-triene-16,17-diol
Temperature	313 °C