Chem
J-GLOBAL ID：200907000014536736   Nikkaji number：J859.598D

(2S,3S,5R)-2-Methyl-3-hydroxy-5-[(1S,2Z)-1-hydroxy-1-methyl-3-[2,4-bis(trifluoromethyl)phenyl]-2-propenyl]cyclohexanone

(2S,3S,5R)-2-メチル-3-ヒドロキシ-5-[(1S,2Z)-1-ヒドロキシ-1-メチル-3-[2,4-ビス(トリフルオロメチル)フェニル]-2-プロペニル]シクロヘキサノン
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： C19H20F6O3
Molecular formula furigana： C19-H20-F6-O3
Molecular weight： 410.356
InChI： InChI=1S/C19H20F6O3/c1-10-15(26)8-13(9-16(10)27)17(2,28)6-5-11-3-4-12(18(20,21)22)7-14(11)19(23,24)25/h3-7,10,13,15,26,28H,8-9H2,1-2H3/b6-5-/t10-,13+,15-,17+/m0/s1
InChI key： CQOUQHIJSUSCQP-NHNFTLSISA-N
SMILES： C[C@H]1[C@@H](O)C[C@H](CC1=O)[C@](C)(O)/C=C\c1ccc(cc1C(F)(F)F)C(F)(F)F
Systematic name  (3)：
  • (2S,3S,5R)-2-メチル-3-ヒドロキシ-5-[(1S,2Z)-1-ヒドロキシ-1-メチル-3-[2,4-ビス(トリフルオロメチル)フェニル]-2-プロペニル]シクロヘキサノン
  • (2S,3S,5R)-5-[(2S,3Z)-4-[2,4-ビス(トリフルオロメチル)フェニル]-2-ヒドロキシブタ-3-エン-2-イル]-3-ヒドロキシ-2-メチルシクロヘキサン-1-オン
  • (2S,3S,5R)-5-[(2S,3Z)-4-[2,4-bis(trifluoromethyl)phenyl]-2-hydroxybut-3-en-2-yl]-3-hydroxy-2-methylcyclohexan-1-one
Other name (1)：
  • (2S,3S,5R)-2-Methyl-3-hydroxy-5-[(1S,2Z)-1-hydroxy-1-methyl-3-[2,4-bis(trifluoromethyl)phenyl]-2-propenyl]cyclohexanone
Thsaurus map：
Thesaurus Map

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