(4S,5R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-4-fluoro-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

SpectraBase Compound ID	JcJnRdVGtbT
InChI	InChI=1S/C27H45FO/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(28)24(29)14-16-27(23,5)22(19)13-15-26(20,21)4/h17-23,25H,6-16H2,1-5H3/t18-,19+,20-,21+,22+,23+,25+,26-,27-/m1/s1
InChIKey	LNJSPZGBWPKOJU-XWAVZNOASA-N Google Search
Mol Weight	404.7 g/mol
Molecular Formula	C27H45FO
Exact Mass	404.345444 g/mol

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SpectraBase Spectrum ID	7HryCXTH0b3
Name	(4S,5R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-4-fluoro-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H45FO
InChI	InChI=1S/C27H45FO/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(28)24(29)14-16-27(23,5)22(19)13-15-26(20,21)4/h17-23,25H,6-16H2,1-5H3/t18-,19+,20-,21+,22+,23+,25+,26-,27-/m1/s1
InChIKey	LNJSPZGBWPKOJU-XWAVZNOASA-N
Molecular Weight	404.654 g/mol
SMILES	C1(CC[C@]2([C@]([C@@]1(F)[H])(CC[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])[H])C)=O
SPLASH	splash10-0udj-0090400000-8c3f2f46dcfc9531457f
Source of Spectrum	K1-0-3698-13
Synonyms	(4S,5R,8S,9S,10R,13R,14S,17R)-4-fluoranyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one (4S,5R,8S,9S,10R,13R,14S,17R)-4-fluoro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Wiley ID	1589275