Chem
J-GLOBAL ID:200907071593474687
Nikkaji number:J1.664.381E
1-(Phenylthio)-2-O-(4-methylphenyl)-3-O-(chloroacetyl)-4-O,6-O-dibenzyl-1-deoxy-β-D-galactopyranose
1-(フェニルチオ)-2-O-(4-メチルフェニル)-3-O-(クロロアセチル)-4-O,6-O-ジベンジル-1-デオキシ-β-D-ガラクトピラノース
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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:
C35 H35 ClO6 S
Molecular formula furigana:
C35-H35-CL-O6-S
Molecular weight:
619.170
InChI:
InChI=1S/C35H35ClO6S/c1-25-17-19-28(20-18-25)40-34-33(42-31(37)21-36)32(39-23-27-13-7-3-8-14-27)30(24-38-22-26-11-5-2-6-12-26)41-35(34)43-29-15-9-4-10-16-29/h2-20,30,32-35H,21-24H2,1H3/t30-,32+,33+,34-,35+/m1/s1
InChI key:
UKARBSUXIWCQMS-DNNCLPCDSA-N
SMILES:
Cc1ccc(O[C@H]2[C@@H](O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2OC(=O)CCl)Sc2ccccc2)cc1
Systematic name (3):
1-(フェニルチオ)-2-O-(4-メチルフェニル)-3-O-(クロロアセチル)-4-O,6-O-ジベンジル-1-デオキシ-β-D-ガラクトピラノース
(2R,3S,4S,5R,6S)-3-(ベンジルオキシ)-2-[(ベンジルオキシ)メチル]-5-(4-メチルフェノキシ)-6-(フェニルスルファニル)オキサン-4-イル 2-クロロアセタート
(2R,3S,4S,5R,6S)-3-(benzyloxy)-2-[(benzyloxy)methyl]-5-(4-methylphenoxy)-6-(phenylsulfanyl)oxan-4-yl 2-chloroacetate
Other name (1):
1-(Phenylthio)-2-O-(4-methylphenyl)-3-O-(chloroacetyl)-4-O,6-O-dibenzyl-1-deoxy-β-D-galactopyranose
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