2-Hepten-4-one, 2-[[(3.alpha.,5.alpha.)-androstan-3-yl]oxy]-5,5,6,6,7,7,7-heptafluoro - - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	BvN0ibNvNIr
InChI	InChI=1S/C26H35F7O2/c1-15(13-21(34)24(27,28)25(29,30)26(31,32)33)35-17-8-12-23(3)16(14-17)6-7-18-19-5-4-10-22(19,2)11-9-20(18)23/h13,16-20H,4-12,14H2,1-3H3/b15-13+/t16-,17+,18?,19?,20?,22-,23-/m0/s1
InChIKey	RYRHAAQFOPEYDU-QPGQRBHXSA-N Google Search
Mol Weight	512.6 g/mol
Molecular Formula	C26H35F7O2
Exact Mass	512.252528 g/mol

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SpectraBase Spectrum ID	JNvPStzLUst
Name	2-Hepten-4-one, 2-[[(3.alpha.,5.alpha.)-androstan-3-yl]oxy]-5,5,6,6,7,7,7-heptafluoro -
Alternate Name(s)	Androstane, 2-hepten-4-one deriv. 1-Heptafluorobutanoyl((5.alpha.)3'.alpha.-androstanyl)2-oxy-1-propene
CAS Registry Number	57099-49-7
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H35F7O2
InChI	InChI=1S/C26H35F7O2/c1-15(13-21(34)24(27,28)25(29,30)26(31,32)33)35-17-8-12-23(3)16(14-17)6-7-18-19-5-4-10-22(19,2)11-9-20(18)23/h13,16-20H,4-12,14H2,1-3H3/b15-13+/t16-,17+,18?,19?,20?,22-,23-/m0/s1
InChIKey	RYRHAAQFOPEYDU-QPGQRBHXSA-N
Molecular Weight	512.553 g/mol
SMILES	C(C(C(\C=C/(O[C@]1(C[C@@]2(CCC3C([C@]2(CC1)C)CC[C@@]1(CCCC31)C)[H])[H])C)=O)(F)F)(C(F)(F)F)(F)F
SPLASH	splash10-0a4i-0290000000-2fa6a2cec77496f374b2
Source of Spectrum	AN-85-342-0
Wiley ID	1400788