Chem
J-GLOBAL ID：200907012089950455   Nikkaji number：J531.606E

p-Toluenesulfonic acid (6S)-6-[(tetrahydro-2H-pyran)-2-yloxy]-7-[2-[2-[3-methoxy-4-[(tetrahydro-2H-pyran)-2-yloxy]phenyl]ethyl]-1,3-dithian-2-yl]heptyl ester

(6S)-7-(2-{2-[3-メトキシ-4-(オキサン-2-イルオキシ)フェニル]エチル}-1,3-ジチアン-2-イル)-6-(オキサン-2-イルオキシ)ヘプチル 4-メチルベンゼン-1-スルホナート
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： C37H54O8S3
Molecular formula furigana： C37-H54-O8-S3
Molecular weight： 723.010
InChI： InChI=1S/C37H54O8S3/c1-29-14-17-32(18-15-29)48(38,39)43-24-7-3-4-11-31(44-35-12-5-8-22-41-35)28-37(46-25-10-26-47-37)21-20-30-16-19-33(34(27-30)40-2)45-36-13-6-9-23-42-36/h14-19,27,31,35-36H,3-13,20-26,28H2,1-2H3/t31-,35?,36?/m0/s1
InChI key： MSVMVFGUJQCZOD-DAABVWBKSA-N
SMILES： COc1cc(CCC2(C[C@H](CCCCCOS(=O)(=O)c3ccc(C)cc3)OC3CCCCO3)SCCCS2)ccc1OC1CCCCO1
Systematic name  (3)：
  • p-トルエンスルホン酸(6S)-6-[(テトラヒドロ-2H-ピラン)-2-イルオキシ]-7-[2-[2-[3-メトキシ-4-[(テトラヒドロ-2H-ピラン)-2-イルオキシ]フェニル]エチル]-1,3-ジチアン-2-イル]ヘプチル
  • (6S)-7-(2-{2-[3-メトキシ-4-(オキサン-2-イルオキシ)フェニル]エチル}-1,3-ジチアン-2-イル)-6-(オキサン-2-イルオキシ)ヘプチル 4-メチルベンゼン-1-スルホナート
  • (6S)-7-(2-{2-[3-methoxy-4-(oxan-2-yloxy)phenyl]ethyl}-1,3-dithian-2-yl)-6-(oxan-2-yloxy)heptyl 4-methylbenzene-1-sulfonate
Other name (1)：
  • p-Toluenesulfonic acid (6S)-6-[(tetrahydro-2H-pyran)-2-yloxy]-7-[2-[2-[3-methoxy-4-[(tetrahydro-2H-pyran)-2-yloxy]phenyl]ethyl]-1,3-dithian-2-yl]heptyl ester
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