Chem
J-GLOBAL ID：200907038346357220   Nikkaji number：J2.341.217I

Kadsuralignan C

カドスラリグナンC
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： C21H26O5
Molecular formula furigana： C21-H26-O5
Molecular weight： 358.434
InChI： InChI=1S/C21H26O5/c1-11-6-13-7-17(24-3)16(22)10-15(13)20(12(11)2)14-8-18(25-4)21(23)19(9-14)26-5/h7-12,20,22-23H,6H2,1-5H3/t11-,12+,20+/m1/s1
InChI key： QHLOLFAIJRCECK-JGRMJRGVSA-N
SMILES： COc1cc2C[C@@H](C)[C@H](C)[C@@H](c3cc(OC)c(O)c(OC)c3)c2cc1O
Systematic name  (3)：
  • (1S)-1α-(3,5-ジメトキシ-4-ヒドロキシフェニル)-2β,3α-ジメチル-6-メトキシ-7-ヒドロキシ-1,2,3,4-テトラヒドロナフタレン
  • (6R,7S,8S)-8-(4-ヒドロキシ-3,5-ジメトキシフェニル)-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-3,5-dimethoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
Other name (3)：
  • (1S)-1α-(3,5-Dimethoxy-4-hydroxyphenyl)-2β,3α-dimethyl-6-methoxy-7-hydroxy-1,2,3,4-tetrahydronaphthalene
  • カドスラリグナンC
  • Kadsuralignan C
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