Chem
J-GLOBAL ID：200907094104400234   Nikkaji number：J1.763.435F

Fraxiformoside

フラキシホルモシド
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： C32H38O13
Molecular formula furigana： C32-H38-O13
Molecular weight： 630.643
InChI： InChI=1S/C32H38O13/c1-2-22-23(15-26(36)43-21-9-5-18(6-10-21)11-13-33)24(30(40)41-14-12-19-3-7-20(35)8-4-19)17-42-31(22)45-32-29(39)28(38)27(37)25(16-34)44-32/h2-10,17,23,25,27-29,31-35,37-39H,11-16H2,1H3/t23-,25+,27+,28-,29+,31-,32-/m0/s1
InChI key： XWWIKNIPMBZMKG-BDNXNFLKSA-N
SMILES： CC=C1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C([C@H]1CC(=O)Oc1ccc(CCO)cc1)C(=O)OCCc1ccc(O)cc1
Systematic name  (3)：
  • (2S)-3-エチリデン-2β-(β-D-グルコピラノシルオキシ)-3,4-ジヒドロ-5-[2-(4-ヒドロキシフェニル)エトキシカルボニル]-2H-ピラン-4α-酢酸4-(2-ヒドロキシエチル)フェニル
  • 2-(4-ヒドロキシフェニル)エチル (2S,4S)-3-エチリデン-4-{2-[4-(2-ヒドロキシエチル)フェノキシ]-2-オキソエチル}-2-{[(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}-3,4-ジヒドロ-2H-ピラン-5-カルボキシラート
  • 2-(4-hydroxyphenyl)ethyl (2S,4S)-3-ethylidene-4-{2-[4-(2-hydroxyethyl)phenoxy]-2-oxoethyl}-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate
Other name (3)：
  • (2S)-3-Ethylidene-2β-(β-D-glucopyranosyloxy)-3,4-dihydro-5-[2-(4-hydroxyphenyl)ethoxycarbonyl]-2H-pyran-4α-acetic acid 4-(2-hydroxyethyl)phenyl ester
  • フラキシホルモシド
  • Fraxiformoside
CAS registry number： 142998-21-8
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