Chem
J-GLOBAL ID:201107072391856973   Nikkaji number:J2.957.949K

2α-Hexadecyl-2,7,8-trimethyl-5-(2,4-difluorophenyl)-6-acetoxy-3,4-dihydro-2H-1-benzopyran

2α-ヘキサデシル-2,7,8-トリメチル-5-(2,4-ジフルオロフェニル)-6-アセトキシ-3,4-ジヒドロ-2H-1-ベンゾピラン
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: C36H52F2O3
Molecular formula furigana: C36-H52-F2-O3
Molecular weight: 570.806
InChI: InChI=1S/C36H52F2O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-36(5)24-22-31-33(30-21-20-29(37)25-32(30)38)35(40-28(4)39)27(3)26(2)34(31)41-36/h20-21,25H,6-19,22-24H2,1-5H3/t36-/m1/s1
InChI key: NCWGHMHDDODLFS-PSXMRANNSA-N
SMILES: CCCCCCCCCCCCCCCC[C@]1(C)CCc2c(O1)c(C)c(C)c(OC(=O)C)c2c1ccc(F)cc1F
Systematic name  (3):
  • 2α-ヘキサデシル-2,7,8-トリメチル-5-(2,4-ジフルオロフェニル)-6-アセトキシ-3,4-ジヒドロ-2H-1-ベンゾピラン
  • (2R)-5-(2,4-ジフルオロフェニル)-2-ヘキサデシル-2,7,8-トリメチル-3,4-ジヒドロ-2H-1-ベンゾピラン-6-イル アセタート
  • (2R)-5-(2,4-difluorophenyl)-2-hexadecyl-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-6-yl acetate
Other name (1):
  • 2α-Hexadecyl-2,7,8-trimethyl-5-(2,4-difluorophenyl)-6-acetoxy-3,4-dihydro-2H-1-benzopyran
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