Chem
J-GLOBAL ID：201807020665526047   Nikkaji number：J3.686.841D

Phenyl 2-O,3-O-(o-xylylene)-4-O,6-O-bis(4-methoxybenzyl)-1-thio-β-D-glucopyranoside

フェニル2-O,3-O-(o-キシリレン)-4-O,6-O-ビス(4-メトキシベンジル)-1-チオ-β-D-グルコピラノシド
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： C36H38O7S
Molecular formula furigana： C36-H38-O7-S
Molecular weight： 614.750
InChI： InChI=1S/C36H38O7S/c1-37-29-16-12-25(13-17-29)20-39-24-32-33(40-21-26-14-18-30(38-2)19-15-26)34-35(36(43-32)44-31-10-4-3-5-11-31)42-23-28-9-7-6-8-27(28)22-41-34/h3-19,32-36H,20-24H2,1-2H3/t32-,33-,34+,35-,36+/m1/s1
InChI key： QOXCOQFAFTTZRM-GJXDWMKPSA-N
SMILES： COc1ccc(COC[C@H]2O[C@@H](Sc3ccccc3)[C@@H]3OCc4ccccc4CO[C@H]3[C@@H]2OCc2ccc(OC)cc2)cc1
Systematic name  (3)：
  • フェニル2-O,3-O-(o-キシリレン)-4-O,6-O-ビス(4-メトキシベンジル)-1-チオ-β-D-グルコピラノシド
  • (1S,12R,13S,15R,16R)-16-[(4-メトキシフェニル)メトキシ]-15-{[(4-メトキシフェニル)メトキシ]メチル}-13-(フェニルスルファニル)-2,11,14-トリオキサトリシクロ[10.4.0.04,9]ヘキサデカ-4,6,8-トリエン
  • (1S,12R,13S,15R,16R)-16-[(4-methoxyphenyl)methoxy]-15-{[(4-methoxyphenyl)methoxy]methyl}-13-(phenylsulfanyl)-2,11,14-trioxatricyclo[10.4.0.04,9]hexadeca-4,6,8-triene
Other name (1)：
  • Phenyl 2-O,3-O-(o-xylylene)-4-O,6-O-bis(4-methoxybenzyl)-1-thio-β-D-glucopyranoside
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