Chem
J-GLOBAL ID：201207027940041890   Nikkaji number：J3.040.357F

LY-3201

(3aS,4R,9bR)-2,2-ジフルオロ-4-(4-ヒドロキシフェニル)-3,3a,4,9b-テトラヒドロ-1H-シクロペンタ[c][1]ベンゾピラン-8-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： C18H16F2O3
Molecular formula furigana： C18-H16-F2-O3
Molecular weight： 318.320
InChI： InChI=1S/C18H16F2O3/c19-18(20)8-14-13-7-12(22)5-6-16(13)23-17(15(14)9-18)10-1-3-11(21)4-2-10/h1-7,14-15,17,21-22H,8-9H2/t14-,15-,17-/m0/s1
InChI key： QJSMFUTULGSHNQ-ZOBUZTSGSA-N
SMILES： Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CC(F)(F)C[C@H]12
Systematic name  (3)：
  • (3aS,4R,9bR)-2,2-ジフルオロ-4-(4-ヒドロキシフェニル)-3,3a,4,9b-テトラヒドロ-1H-シクロペンタ[c][1]ベンゾピラン-8-オール
  • (2R,6S,7R)-4,4-ジフルオロ-7-(4-ヒドロキシフェニル)-8-オキサトリシクロ[7.4.0.02,6]トリデカ-1(13),9,11-トリエン-12-オール
  • (2R,6S,7R)-4,4-difluoro-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-12-ol
Other name (2)：
  • (3aS,4R,9bR)-2,2-Difluoro-4-(4-hydroxyphenyl)-3,3a,4,9b-tetrahydro-1H-cyclopenta[c][1]benzopyran-8-ol
  • LY-3201
CAS registry number： 787621-78-7
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