Chem
J-GLOBAL ID：200907095968625692   Nikkaji number：J594.310H

Guaiacin

グアイアシン
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： C20H24O4
Molecular formula furigana： C20-H24-O4
Molecular weight： 328.408
InChI： InChI=1S/C20H24O4/c1-11-7-14-9-19(24-4)17(22)10-15(14)20(12(11)2)13-5-6-16(21)18(8-13)23-3/h5-6,8-12,20-22H,7H2,1-4H3/t11-,12+,20+/m1/s1
InChI key： TZAAYUCUPIYQBR-JGRMJRGVSA-N
SMILES： COc1cc2C[C@@H](C)[C@H](C)[C@@H](c3ccc(O)c(OC)c3)c2cc1O
Systematic name  (3)：
  • (6R)-3-メトキシ-6β,7α-ジメチル-8β-(3-メトキシ-4-ヒドロキシフェニル)-5,6,7,8-テトラヒドロナフタレン-2-オール
  • (6R,7S,8S)-8-(4-ヒドロキシ-3-メトキシフェニル)-3-メトキシ-6,7-ジメチル-5,6,7,8-テトラヒドロナフタレン-2-オール
  • (6R,7S,8S)-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
Other name (5)：
  • (+)-グアイアシン
  • (+)-Guaiacin
  • (6R)-3-Methoxy-6β,7α-dimethyl-8β-(3-methoxy-4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
  • グアイアシン
  • Guaiacin
CAS registry number： 36531-08-5
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