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2-Hepten-4-one, 2-[[(3.beta.,5.alpha.)-androstan-3-yl]oxy]-5,5,6,6,7,7,7-heptafluoro-
SpectraBase Compound ID FaEAVIU5K7i
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-NEOOKCPPSA-N
Mol Weight 512.6 g/mol
Molecular Formula C26H35F7O2
Exact Mass 512.252528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvOxbErOIJV
Name 2-Hepten-4-one, 2-[[(3.beta.,5.alpha.)-androstan-3-yl]oxy]-5,5,6,6,7,7,7-heptafluoro-
CAS Registry Number 57099-50-0
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-NEOOKCPPSA-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-0190000000-ddb91dc22758ee794fd4
Source of Spectrum AN-85-342-0
Synonyms Androstane, 2-hepten-4-one deriv. (2E)-2-[(3beta,5alpha)-androstan-3-yloxy]-5,5,6,6,7,7,7-heptafluoro-2-hepten-4-one 1-Heptafluorobutanoyl(5'.alpha.-(3'.beta.-androstanyl))2-oxy-1-propene
Wiley ID 1400787