6.beta.-Acetoxy-2.alpha.-fluoro-3.beta.-hydroxycholestane

SpectraBase Compound ID	JOj7WF8vlY4
InChI	InChI=1S/C29H49FO3/c1-17(2)8-7-9-18(3)21-10-11-22-20-14-27(33-19(4)31)24-15-26(32)25(30)16-29(24,6)23(20)12-13-28(21,22)5/h17-18,20-27,32H,7-16H2,1-6H3/t18-,20+,21-,22+,23+,24?,25-,26-,27-,28-,29-/m1/s1
InChIKey	ZZGJLQNSMIGCSV-JAZJLIPUSA-N Google Search
Mol Weight	464.7 g/mol
Molecular Formula	C29H49FO3
Exact Mass	464.366574 g/mol

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SpectraBase Spectrum ID	4W0YR7WXv6n
Name	6.beta.-Acetoxy-2.alpha.-fluoro-3.beta.-hydroxycholestane
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H49FO3
InChI	InChI=1S/C29H49FO3/c1-17(2)8-7-9-18(3)21-10-11-22-20-14-27(33-19(4)31)24-15-26(32)25(30)16-29(24,6)23(20)12-13-28(21,22)5/h17-18,20-27,32H,7-16H2,1-6H3/t18-,20+,21-,22+,23+,24?,25-,26-,27-,28-,29-/m1/s1
InChIKey	ZZGJLQNSMIGCSV-JAZJLIPUSA-N
Molecular Weight	464.706 g/mol
SMILES	O[C@]1([C@@](C[C@@]2([C@@]3([C@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])(C[C@](C2C1)(OC(=O)C)[H])[H])[H])C)(F)[H])[H]
SPLASH	splash10-0uy0-0009400000-fc8b941fbe3750e6b04b
Source of Spectrum	E1-34-1570-4
Synonyms	Acetic acid [(2R,3R,6R,8S,9S,10R,13R,14S,17R)-2-fluoro-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] ester [(2R,3R,6R,8S,9S,10R,13R,14S,17R)-2-fluoro-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] acetate [(2R,3R,6R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-2-fluoro-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] acetate [(2R,3R,6R,8S,9S,10R,13R,14S,17R)-2-fluoranyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] ethanoate
Wiley ID	1710285