Chem
J-GLOBAL ID：200907021873675192   Nikkaji number：J1.877.011C

Shogasulfonic acid B

ショウガスルホン酸B
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： C20H24O8S
Molecular formula furigana： C20-H24-O8-S
Molecular weight： 424.460
InChI： InChI=1S/C20H24O8S/c1-28-20-11-14(5-9-18(20)23)2-6-15(21)12-16(29(25,26)27)7-3-13-4-8-17(22)19(24)10-13/h4-5,8-11,16,22-24H,2-3,6-7,12H2,1H3,(H,25,26,27)
InChI key： YHSDFQBXPYLYMP-UHFFFAOYSA-N
SMILES： COc1cc(CCC(=O)CC(CCc2ccc(O)c(O)c2)S(=O)(=O)O)ccc1O
Systematic name  (3)：
  • 1-(4-ヒドロキシ-3-メトキシフェニル)-7-(3,4-ジヒドロキシフェニル)-3-オキソヘプタン-5-スルホン酸
  • 1-(3,4-ジヒドロキシフェニル)-7-(4-ヒドロキシ-3-メトキシフェニル)-5-オキソヘプタン-3-スルホン酸
  • 1-(3,4-dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-5-oxoheptane-3-sulfonic acid
Other name (3)：
  • 1-(4-Hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxyphenyl)-3-oxoheptane-5-sulfonic acid
  • ショウガスルホン酸B
  • Shogasulfonic acid B
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