(2S)-2-((5S,10R,13S)-3-bromo-10,13-dimethyl-6-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid

SpectraBase Compound ID	J9S6VY12Fbu
InChI	InChI=1S/C22H33BrO3/c1-12(20(25)26)15-4-5-16-14-11-19(24)18-10-13(23)6-8-22(18,3)17(14)7-9-21(15,16)2/h12-18H,4-11H2,1-3H3,(H,25,26)
InChIKey	TZFYODXDWQUWKU-UHFFFAOYSA-N Google Search
Mol Weight	425.4 g/mol
Molecular Formula	C22H33BrO3
Exact Mass	424.161308 g/mol

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SpectraBase Spectrum ID	8QMMuCexYNf
Name	(2S)-2-((5S,10R,13S)-3-bromo-10,13-dimethyl-6-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid
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/C22H33BrO3/c1-12(20(25)26)15-4-5-16-14-11-19(24)18-10-13(23)6-8-22(18,3)17(14)7-9-21(15,16)2/h12-18H,4-11H2,1-3H3,(H,25,26)
InChIKey	TZFYODXDWQUWKU-UHFFFAOYSA-N
NMR Offset	16.0087
NMR Spectrometer Frequency	500.133
Observed nucleus	1H
Origin	1H_ASIOH_7529_2181
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: ZI/9041807; Labnumber: GEI-k000580