Chem
J-GLOBAL ID：200907031301184096   Nikkaji number：J622.339G

CP-105696

CP-105696
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： C28H28O4
Molecular formula furigana： C28-H28-O4
Molecular weight： 428.528
InChI： InChI=1S/C28H28O4/c29-26-22(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)18-32-25-17-23(12-13-24(25)26)28(27(30)31)14-4-5-15-28/h1-3,6-13,17,22,26,29H,4-5,14-16,18H2,(H,30,31)/t22-,26+/m0/s1
InChI key： KMNLXCBYBKHKSK-BKMJKUGQSA-N
SMILES： O[C@@H]1[C@@H](Cc2ccc(cc2)c2ccccc2)COc2cc(ccc12)C1(CCCC1)C(=O)O
Systematic name  (3)：
  • 1-[[(3S,4R)-3,4-ジヒドロ-4-ヒドロキシ-3α-[(1,1′-ビフェニル-4-イル)メチル]-2H-1-ベンゾピラン]-7-イル]シクロペンタン-1-カルボン酸
  • 1-[(3S,4R)-3-({[1,1'-ビフェニル]-4-イル}メチル)-4-ヒドロキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-7-イル]シクロペンタン-1-カルボン酸
  • 1-[(3S,4R)-3-({[1,1'-biphenyl]-4-yl}methyl)-4-hydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]cyclopentane-1-carboxylic acid
Other name (2)：
  • CP-105696
  • 1-[[(3S,4R)-3,4-Dihydro-4-hydroxy-3α-[(1,1′-biphenyl-4-yl)methyl]-2H-1-benzopyran]-7-yl]cyclopentane-1-carboxylic acid
Thsaurus map：
Thesaurus Map

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