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

SpectraBase Compound ID	4GFiqWYGEmT
InChI	InChI=1S/C27H46F2O/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-27(28,29)24-15-19(30)11-13-26(24,5)23(20)12-14-25(21,22)4/h17-24,30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24+,25-,26-/m1/s1
InChIKey	GCSYTTZVUJTCEY-VDOHLUMYSA-N Google Search
Mol Weight	424.7 g/mol
Molecular Formula	C27H46F2O
Exact Mass	424.351672 g/mol

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SpectraBase Spectrum ID	EzsU7GMkgez
Name	(3S,5S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-6,6-difluoro-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
Alternate Name(s)	(3S,5S,8S,9S,10R,13R,14S,17R)-6,6-bis(fluoranyl)-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-3-ol (3S,5S,8S,9S,10R,13R,14S,17R)-6,6-difluoro-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-3-ol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H46F2O
InChI	InChI=1S/C27H46F2O/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-27(28,29)24-15-19(30)11-13-26(24,5)23(20)12-14-25(21,22)4/h17-24,30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24+,25-,26-/m1/s1
InChIKey	GCSYTTZVUJTCEY-VDOHLUMYSA-N
Molecular Weight	424.661 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)F)[H])C)[H]
SPLASH	splash10-00di-0091700000-2780a3f1d2a00c906e02
Source of Spectrum	K1-0-3705-42
Wiley ID	1589244