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3,17.beta.-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]-5.alpha.-androst-2-ene
SpectraBase Compound ID ABlTPlpxdn7
InChI InChI=1S/C33H28F14O2/c1-30-9-7-13(48-28-24(38)20(34)18(32(42,43)44)21(35)25(28)39)11-12(30)3-4-14-15-5-6-17(31(15,2)10-8-16(14)30)49-29-26(40)22(36)19(33(45,46)47)23(37)27(29)41/h7,12,14-17H,3-6,8-11H2,1-2H3/t12-,14-,15-,16-,17-,30-,31-/m0/s1
InChIKey QWBCOOYPMWPCJF-IKLIHZCASA-N
Mol Weight 722.6 g/mol
Molecular Formula C33H28F14O2
Exact Mass 722.186574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9G1v0YVbhnK
Name 3,17.beta.-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]-5.alpha.-androst-2-ene
Alternate Name(s) (5alpha,17beta)-3,17-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]androst-2-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H28F14O2
InChI InChI=1S/C33H28F14O2/c1-30-9-7-13(48-28-24(38)20(34)18(32(42,43)44)21(35)25(28)39)11-12(30)3-4-14-15-5-6-17(31(15,2)10-8-16(14)30)49-29-26(40)22(36)19(33(45,46)47)23(37)27(29)41/h7,12,14-17H,3-6,8-11H2,1-2H3/t12-,14-,15-,16-,17-,30-,31-/m0/s1
InChIKey QWBCOOYPMWPCJF-IKLIHZCASA-N
Molecular Weight 722.563 g/mol
SMILES c1(c(c(F)c(c(c1F)F)O[C@@]1([C@@]2([C@@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC=C(Oc2c(c(F)c(c(c2F)F)C(F)(F)F)F)C4)C)[H])[H])([H])CC1)C)[H])F)C(F)(F)F
SPLASH splash10-001i-9000000000-27ba2e36290f5638ce31
Source of Spectrum KC-1987-1132-10
Wiley ID 1415683