Chem
J-GLOBAL ID：200907068796889431   Nikkaji number：J524.479J

4α,6,7-Trihydroxy-9β-[3,4,5-trimethoxyphenyl]-3aβ,4,9,9aα-tetrahydronaphtho[2,3-c]furan-1(3H)-one

4α,6,7-トリヒドロキシ-9β-[3,4,5-トリメトキシフェニル]-3aβ,4,9,9aα-テトラヒドロナフト[2,3-c]フラン-1(3H)-オン
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： C21H22O8
Molecular formula furigana： C21-H22-O8
Molecular weight： 402.399
InChI： InChI=1S/C21H22O8/c1-26-15-4-9(5-16(27-2)20(15)28-3)17-10-6-13(22)14(23)7-11(10)19(24)12-8-29-21(25)18(12)17/h4-7,12,17-19,22-24H,8H2,1-3H3/t12-,17+,18-,19+/m0/s1
InChI key： AIEQNTGIFXFNRB-JHQYFNNDSA-N
SMILES： COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O)c2cc(O)c(O)cc12
Systematic name  (3)：
  • 4α,6,7-トリヒドロキシ-9β-[3,4,5-トリメトキシフェニル]-3aβ,4,9,9aα-テトラヒドロナフト[2,3-c]フラン-1(3H)-オン
  • (3aR,4S,9R,9aR)-4,6,7-トリヒドロキシ-9-(3,4,5-トリメトキシフェニル)-1H,3H,3aH,4H,9H,9aH-ナフト[2,3-c]フラン-1-オン
  • (3aR,4S,9R,9aR)-4,6,7-trihydroxy-9-(3,4,5-trimethoxyphenyl)-1H,3H,3aH,4H,9H,9aH-naphtho[2,3-c]furan-1-one
Other name (1)：
  • 4α,6,7-Trihydroxy-9β-[3,4,5-trimethoxyphenyl]-3aβ,4,9,9aα-tetrahydronaphtho[2,3-c]furan-1(3H)-one
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