Chem
J-GLOBAL ID:200907024928672650   Nikkaji number:J1.301.048J

(17R,20E)-21-[3-(Trifluoromethyl)phenyl]-19-norpregna-1,3,5(10),20-tetrene-3,17-diol

(17R,20E)-21-[3-(トリフルオロメチル)フェニル]-19-ノルプレグナ-1,3,5(10),20-テトラエン-3,17-ジオール
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C27H29F3O2
Molecular formula furigana: C27-H29-F3-O2
Molecular weight: 442.522
InChI: InChI=1S/C27H29F3O2/c1-25-12-10-22-21-8-6-20(31)16-18(21)5-7-23(22)24(25)11-14-26(25,32)13-9-17-3-2-4-19(15-17)27(28,29)30/h2-4,6,8-9,13,15-16,22-24,31-32H,5,7,10-12,14H2,1H3/b13-9+/t22-,23-,24+,25+,26+/m1/s1
InChI key: ITNIPUJWTIIATR-NJEIJUFLSA-N
SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)/C=C/c1cccc(c1)C(F)(F)F
Systematic name  (3):
  • (17R,20E)-21-[3-(トリフルオロメチル)フェニル]-19-ノルプレグナ-1,3,5(10),20-テトラエン-3,17-ジオール
  • (1R,3aS,3bR,9bS,11aS)-11a-メチル-1-[(1E)-2-[3-(トリフルオロメチル)フェニル]エテニル]-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1,7-ジオール
  • (1R,3aS,3bR,9bS,11aS)-11a-methyl-1-[(1E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
Other name (1):
  • (17R,20E)-21-[3-(Trifluoromethyl)phenyl]-19-norpregna-1,3,5(10),20-tetrene-3,17-diol
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