Chem
J-GLOBAL ID：200907035189627538   Nikkaji number：J2.181.986G

(+)-Centrolobine

(+)-セントロロビン
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： C20H24O3
Molecular formula furigana： C20-H24-O3
Molecular weight： 312.409
InChI： InChI=1S/C20H24O3/c1-22-18-13-8-16(9-14-18)20-4-2-3-19(23-20)12-7-15-5-10-17(21)11-6-15/h5-6,8-11,13-14,19-21H,2-4,7,12H2,1H3/t19-,20+/m0/s1
InChI key： VKLGDLFSGNHXAV-VQTJNVASSA-N
SMILES： COc1ccc(cc1)[C@H]1CCC[C@@H](CCc2ccc(O)cc2)O1
Systematic name  (5)：
  • (2R,6S)-2-(4-メトキシフェニル)-6-(4-ヒドロキシフェネチル)テトラヒドロ-2H-ピラン
  • 4-[2-[6α-(4-メトキシフェニル)テトラヒドロ-2H-ピラン-2α-イル]エチル]フェノール
  • (2S)-2α-(4-ヒドロキシフェネチル)-6α-(4-メトキシフェニル)テトラヒドロ-2H-ピラン
  • 4-{2-[(2S,6R)-6-(4-メトキシフェニル)オキサン-2-イル]エチル}フェノール
  • 4-{2-[(2S,6R)-6-(4-methoxyphenyl)oxan-2-yl]ethyl}phenol
Other name (5)：
  • (2R,6S)-2-(4-Methoxyphenyl)-6-(4-hydroxyphenethyl)tetrahydro-2H-pyran
  • 4-[2-[6α-(4-Methoxyphenyl)tetrahydro-2H-pyran-2α-yl]ethyl]phenol
  • (+)-Centrolobine
  • (+)-セントロロビン
  • (2S)-2α-(4-Hydroxyphenethyl)-6α-(4-methoxyphenyl)tetrahydro-2H-pyran
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