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17.alpha./.beta.-19-nortestosreone-bis(heptafluorobutanoyl) derivative

View entire compound with spectra: 1 MS (GC)

17.alpha./.beta.-19-nortestosreone-bis(heptafluorobutanoyl) derivative
SpectraBase Compound ID 5xY7movwZGg
InChI InChI=1S/C26H26F14O4/c1-20-9-8-14-13-5-3-12(43-18(41)21(27,28)23(31,32)25(35,36)37)10-11(13)2-4-15(14)16(20)6-7-17(20)44-19(42)22(29,30)24(33,34)26(38,39)40/h10,12-17H,2-9H2,1H3/t12-,13-,14+,15+,16-,17+,20-/m0/s1
InChIKey HLFMINJSAUHIOH-UJCHLWPXSA-N
Mol Weight 668.47 g/mol
Molecular Formula C26H26F14O4
Exact Mass 668.160754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33BamSeilLo
Name 17.alpha./.beta.-19-nortestosreone-bis(heptafluorobutanoyl) derivative
Alternate Name(s) (3beta,17alpha)-17-[(2,2,3,3,4,4,4-heptafluorobutanoyl)oxy]estr-4-en-3-yl 2,2,3,3,4,4,4-heptafluorobutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26F14O4
InChI InChI=1S/C26H26F14O4/c1-20-9-8-14-13-5-3-12(43-18(41)21(27,28)23(31,32)25(35,36)37)10-11(13)2-4-15(14)16(20)6-7-17(20)44-19(42)22(29,30)24(33,34)26(38,39)40/h10,12-17H,2-9H2,1H3/t12-,13-,14+,15+,16-,17+,20-/m0/s1
InChIKey HLFMINJSAUHIOH-UJCHLWPXSA-N
Molecular Weight 668.468 g/mol
SMILES C(C(C(O[C@]1([C@@]2([C@@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CC[C@](OC(C(C(C(F)(F)F)(F)F)(F)F)=O)(C4)[H])[H])[H])([H])CC1)C)[H])=O)(F)F)(C(F)(F)F)(F)F
SPLASH splash10-067m-9800101000-9beef5e41ac2f5a8aafe
Source of Spectrum JC-624-398-5
Wiley ID 1413825