Chem
J-GLOBAL ID：200907045829251640   Nikkaji number：J2.771.412I

Tephrowatsin A

テフロワチンA
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： C22H26O4
Molecular formula furigana： C22-H26-O4
Molecular weight： 354.446
InChI： InChI=1S/C22H26O4/c1-14(2)10-11-16-19(24-3)13-20(25-4)21-17(23)12-18(26-22(16)21)15-8-6-5-7-9-15/h5-10,13,17-18,23H,11-12H2,1-4H3/t17-,18+/m1/s1
InChI key： ADIMMCHZVYYGPW-MSOLQXFVSA-N
SMILES： COc1cc(OC)c2[C@H](O)C[C@H](Oc2c1CC=C(C)C)c1ccccc1
Systematic name  (3)：
  • (2S,4R)-3,4-ジヒドロ-5,7-ジメトキシ-8-(3-メチル-2-ブテニル)-2-フェニル-2H-1-ベンゾピラン4-オール
  • (2S,4R)-5,7-ジメトキシ-8-(3-メチルブタ-2-エン-1-イル)-2-フェニル-3,4-ジヒドロ-2H-1-ベンゾピラン-4-オール
  • (2S,4R)-5,7-dimethoxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-ol
Other name (3)：
  • (2S,4R)-3,4-Dihydro-5,7-dimethoxy-8-(3-methyl-2-butenyl)-2-phenyl-2H-1-benzopyran 4-ol
  • Tephrowatsin A
  • テフロワチンA
CAS registry number： 97640-79-4
KEGG COMPOUND： C09970
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