Chem
J-GLOBAL ID：200907093671184872   Nikkaji number：J107.408C

Neosakuranin

ネオサクラニン
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： C22H24O10
Molecular formula furigana： C22-H24-O10
Molecular weight： 448.424
InChI： InChI=1S/C22H24O10/c1-30-13-8-15(26)18(14(25)7-4-11-2-5-12(24)6-3-11)16(9-13)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-9,17,19-24,26-29H,10H2,1H3/b7-4+/t17-,19-,20+,21-,22-/m1/s1
InChI key： MNYVBVCMMNPLJI-YKCILCNNSA-N
SMILES： COc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
Systematic name  (3)：
  • (E)-4,6′-ジヒドロキシ-2′-(β-D-グルコピラノシルオキシ)-4′-メトキシカルコン
  • (2E)-1-(2-ヒドロキシ-4-メトキシ-6-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}フェニル)-3-(4-ヒドロキシフェニル)プロパ-2-エン-1-オン
  • (2E)-1-(2-hydroxy-4-methoxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Other name (5)：
  • neo-Sakuranin
  • ネオサクラニン
  • neo-サクラニン
  • Neosakuranin
  • (E)-4,6′-Dihydroxy-2′-(β-D-glucopyranosyloxy)-4′-methoxychalcone
CAS registry number： 31187-54-9
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