Chem
J-GLOBAL ID：200907066864486089   Nikkaji number：J670.899D

Gambiriin C

ガンビリイン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： C30H26O11
Molecular formula furigana： C30-H26-O11
Molecular weight： 562.527
InChI： InChI=1S/C30H26O11/c31-14-4-1-12(2-5-14)29-27(39)26(24-20(36)8-15(32)9-23(24)40-29)25-21(37)11-18(34)16-10-22(38)28(41-30(16)25)13-3-6-17(33)19(35)7-13/h1-9,11,22,26-29,31-39H,10H2/t22-,26+,27+,28+,29+/m0/s1
InChI key： KUODBSWFMJMVJV-UKWJTHFESA-N
SMILES： O[C@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)cc3)c2O[C@@H]1c1ccc(O)c(O)c1
Systematic name  (3)：
  • (2R,2′R,3′S)-2α-(4-ヒドロキシフェニル)-2′-(3,4-ジヒドロキシフェニル)-4β,8′-ビクロマン-3α,3′,5,5′,7,7′-ヘキサオール
  • (2R,3S)-2-(3,4-ジヒドロキシフェニル)-8-[(2R,3R,4R)-3,5,7-トリヒドロキシ-2-(4-ヒドロキシフェニル)-3,4-ジヒドロ-2H-1-ベンゾピラン-4-イル]-3,4-ジヒドロ-2H-1-ベンゾピラン-3,5,7-トリオール
  • (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Other name (3)：
  • ガンビリインC
  • Gambiriin C
  • (2R,2′R,3′S)-2α-(4-Hydroxyphenyl)-2′-(3,4-dihydroxyphenyl)-4β,8′-bichroman-3α,3′,5,5′,7,7′-hexol
CAS registry number： 76236-89-0
KEGG COMPOUND： C10228
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