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

SpectraBase Compound ID	1ILcqJtq6q1
InChI	InChI=1S/C27H45FO2/c1-16(2)7-6-8-17(3)19-9-10-20-23-21(12-14-26(19,20)4)27(5)13-11-18(29)15-22(27)25(30)24(23)28/h16-24,29H,6-15H2,1-5H3/t17-,18+,19-,20+,21+,22-,23+,24+,26-,27-/m1/s1
InChIKey	IEXKZNIXNJGEEY-YJJKLKRJSA-N Google Search
Mol Weight	420.7 g/mol
Molecular Formula	C27H45FO2
Exact Mass	420.340359 g/mol

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SpectraBase Spectrum ID	PHjd3fqbbJ
Name	(3S,5S,7S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-7-fluoro-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H45FO2
InChI	InChI=1S/C27H45FO2/c1-16(2)7-6-8-17(3)19-9-10-20-23-21(12-14-26(19,20)4)27(5)13-11-18(29)15-22(27)25(30)24(23)28/h16-24,29H,6-15H2,1-5H3/t17-,18+,19-,20+,21+,22-,23+,24+,26-,27-/m1/s1
InChIKey	IEXKZNIXNJGEEY-YJJKLKRJSA-N
Molecular Weight	420.653 g/mol
SMILES	O[C@]1(CC[C@]2([C@](C1)(C([C@]([C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])(F)[H])=O)[H])C)[H]
SPLASH	splash10-0079-1900800000-a5468a1b9fd47fbceeb6
Source of Spectrum	K1-0-3704-38
Synonyms	(3S,5S,7S,8S,9S,10R,13R,14S,17R)-7-fluoranyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxidanyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one (3S,5S,7S,8S,9S,10R,13R,14S,17R)-7-fluoro-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Wiley ID	1589248