Chem
J-GLOBAL ID：200907070167817082   Nikkaji number：J2.562.638I

(2S,3R)-2-[4-[2-[(3R,4R)-3,4-Dimethylpyrrolidine-1-yl]ethoxy]phenyl]-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzooxathiin-6-ol

(2S,3R)-2-(4-{2-[(3R,4R)-3,4-ジメチルピロリジン-1-イル]エトキシ}フェニル)-3-(4-ヒドロキシフェニル)-2,3-ジヒドロ-1,4-ベンゾオキサチイン-6-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： C28H31NO4S
Molecular formula furigana： C28-H31-N-O4-S
Molecular weight： 477.620
InChI： InChI=1S/C28H31NO4S/c1-18-16-29(17-19(18)2)13-14-32-24-10-5-20(6-11-24)27-28(21-3-7-22(30)8-4-21)34-26-15-23(31)9-12-25(26)33-27/h3-12,15,18-19,27-28,30-31H,13-14,16-17H2,1-2H3/t18-,19-,27-,28+/m0/s1
InChI key： COJFASLRENZFLP-UXHLOXSISA-N
SMILES： C[C@H]1CN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)C[C@@H]1C
Systematic name  (3)：
  • (2S,3R)-2-[4-[2-[(3R,4R)-3,4-ジメチルピロリジン-1-イル]エトキシ]フェニル]-3-(4-ヒドロキシフェニル)-2,3-ジヒドロ-1,4-ベンゾオキサチイン-6-オール
  • (2S,3R)-2-(4-{2-[(3R,4R)-3,4-ジメチルピロリジン-1-イル]エトキシ}フェニル)-3-(4-ヒドロキシフェニル)-2,3-ジヒドロ-1,4-ベンゾオキサチイン-6-オール
  • (2S,3R)-2-(4-{2-[(3R,4R)-3,4-dimethylpyrrolidin-1-yl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol
Other name (1)：
  • (2S,3R)-2-[4-[2-[(3R,4R)-3,4-Dimethylpyrrolidine-1-yl]ethoxy]phenyl]-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzooxathiin-6-ol
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