(3S,5S,6S,7S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-7-fluoro-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol

SpectraBase Compound ID	B909lXiE4Ah
InChI	InChI=1S/C27H47FO2/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/h16-25,29-30H,6-15H2,1-5H3/t17-,18+,19-,20+,21+,22-,23+,24+,25+,26-,27-/m1/s1
InChIKey	GSNCRWKKRVKOAS-CLZXISQTSA-N Google Search
Mol Weight	422.7 g/mol
Molecular Formula	C27H47FO2
Exact Mass	422.356009 g/mol

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SpectraBase Spectrum ID	5sgme3CGg2q
Name	(3S,5S,6S,7S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-7-fluoro-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H47FO2
InChI	InChI=1S/C27H47FO2/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/h16-25,29-30H,6-15H2,1-5H3/t17-,18+,19-,20+,21+,22-,23+,24+,25+,26-,27-/m1/s1
InChIKey	GSNCRWKKRVKOAS-CLZXISQTSA-N
Molecular Weight	422.669 g/mol
SMILES	O[C@]1([C@@]2([C@](CC[C@@](C2)(O)[H])([C@]2(CC[C@@]3([C@](CC[C@]3([C@@]2([C@@]1(F)[H])[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)[H])[H]
SPLASH	splash10-0002-9820300000-25fe264214760fa62569
Source of Spectrum	K1-0-3704-39
Synonyms	(3S,5S,6S,7S,8S,9S,10R,13R,14S,17R)-7-fluoranyl-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]phenanthrene-3,6-diol (3S,5S,6S,7S,8S,9S,10R,13R,14S,17R)-7-fluoro-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]phenanthrene-3,6-diol
Wiley ID	1589247