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

SpectraBase Compound ID	ADm5wyFz6BV
InChI	InChI=1S/C27H46F2/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-27(28,29)16-15-25(20,4)24(21)13-14-26(22,23)5/h18-24H,6-17H2,1-5H3/t19-,20?,21+,22-,23+,24+,25+,26-/m1/s1
InChIKey	IJSHKUPVYYIHCL-LBSJJPSCSA-N Google Search
Mol Weight	408.7 g/mol
Molecular Formula	C27H46F2
Exact Mass	408.356758 g/mol

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SpectraBase Spectrum ID	1w7QttW7jf0
Name	(8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3,3-difluoro-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
CAS Registry Number	16319-73-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H46F2
InChI	InChI=1S/C27H46F2/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-27(28,29)16-15-25(20,4)24(21)13-14-26(22,23)5/h18-24H,6-17H2,1-5H3/t19-,20?,21+,22-,23+,24+,25+,26-/m1/s1
InChIKey	IJSHKUPVYYIHCL-LBSJJPSCSA-N
Molecular Weight	408.662 g/mol
SMILES	[C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CCC(F)(F)C4)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH	splash10-0k96-9030100000-3175c57b957cab122830
Source of Spectrum	J-51-3512-5
Synonyms	(8R,9S,10S,13R,14S,17R)-3,3-bis(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]phenanthrene (8R,9S,10S,13R,14S,17R)-3,3-difluoro-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]phenanthrene
Wiley ID	1373160