Chem
J-GLOBAL ID：201807021354440510   Nikkaji number：J3.722.345J

2,4,6-Trimethyl-7-(dodecylthio)heptanoic acid 2-(β-D-glucopyranosyloxy)ethyl ester

2,4,6-トリメチル-7-(ドデシルチオ)ヘプタン酸2-(β-D-グルコピラノシルオキシ)エチル
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： C30H58O8S
Molecular formula furigana： C30-H58-O8-S
Molecular weight： 578.850
InChI： InChI=1S/C30H58O8S/c1-5-6-7-8-9-10-11-12-13-14-17-39-21-23(3)18-22(2)19-24(4)29(35)36-15-16-37-30-28(34)27(33)26(32)25(20-31)38-30/h22-28,30-34H,5-21H2,1-4H3/t22?,23?,24?,25-,26-,27+,28-,30-/m1/s1
InChI key： ZCEWELQKDPRQKF-QRZRVGEBSA-N
SMILES： CCCCCCCCCCCCSCC(C)CC(C)CC(C)C(=O)OCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 2,4,6-トリメチル-7-(ドデシルチオ)ヘプタン酸2-(β-D-グルコピラノシルオキシ)エチル
  • 2-{[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}エチル 7-(ドデシルスルファニル)-2,4,6-トリメチルヘプタノアート
  • 2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl 7-(dodecylsulfanyl)-2,4,6-trimethylheptanoate
Other name (1)：
  • 2,4,6-Trimethyl-7-(dodecylthio)heptanoic acid 2-(β-D-glucopyranosyloxy)ethyl ester
Thsaurus map：
Thesaurus Map

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