Chem
J-GLOBAL ID：200907011293784576   Nikkaji number：J2.572.408I

Multifidoside C

マルチフィドシド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： C29H34O9
Molecular formula furigana： C29-H34-O9
Molecular weight： 526.582
InChI： InChI=1S/C29H34O9/c1-15-12-19-13-16(2)25(33)24(19)17(3)21(15)10-11-36-29-27(35)26(34)28(22(14-30)37-29)38-23(32)9-6-18-4-7-20(31)8-5-18/h4-9,12,16,22,26-31,34-35H,10-11,13-14H2,1-3H3/b9-6+/t16-,22-,26-,27-,28-,29-/m1/s1
InChI key： DGOOMWFMTZLGGS-PBRNXLBUSA-N
SMILES： C[C@@H]1Cc2cc(C)c(CCO[C@@H]3O[C@H](CO)[C@@H](OC(=O)/C=C/c4ccc(O)cc4)[C@H](O)[C@H]3O)c(C)c2C1=O
Systematic name  (3)：
  • 2α,5,7-トリメチル-6-[2-[4-O-[(E)-4-ヒドロキシシンナモイル]-β-D-グルコピラノシルオキシ]エチル]インダン-1-オン
  • (2R,3S,4R,5R,6R)-4,5-ジヒドロキシ-2-(ヒドロキシメチル)-6-{2-[(2R)-2,4,6-トリメチル-3-オキソ-2,3-ジヒドロ-1H-インデン-5-イル]エトキシ}オキサン-3-イル (2E)-3-(4-ヒドロキシフェニル)プロパ-2-エノアート
  • (2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-{2-[(2R)-2,4,6-trimethyl-3-oxo-2,3-dihydro-1H-inden-5-yl]ethoxy}oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
Other name (3)：
  • 2α,5,7-Trimethyl-6-[2-[4-O-[(E)-4-hydroxycinnamoyl]-β-D-glucopyranosyloxy]ethyl]indan-1-one
  • マルチフィドシドC
  • Multifidoside C
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