Chem
J-GLOBAL ID：200907040391425410   Nikkaji number：J695.072H

Panaxcerol B

パナクスセロールB
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： C27H46O9
Molecular formula furigana： C27-H46-O9
Molecular weight： 514.655
InChI： InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1
InChI key： HUSISCNTLUEZCN-DTYSIQRPSA-N
SMILES： CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (4)：
  • [(S)-2-ヒドロキシ-3-(α-リノレノイルオキシ)プロピル]β-D-ガラクトピラノシド
  • (2S)-1-O-リノレノイル-3-O-β-D-ガラクトピラノシルグリセロール
  • (2S)-2-ヒドロキシ-3-{[(2R,3R,4S,5R,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}プロピル (9Z,12Z,15Z)-オクタデカ-9,12,15-トリエノアート
  • (2S)-2-hydroxy-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Other name (4)：
  • [(S)-2-Hydroxy-3-(α-linolenoyloxy)propyl]β-D-galactopyranoside
  • (2S)-1-O-Linolenoyl-3-O-β-D-galactopyranosylglycerol
  • パナクスセロールB
  • Panaxcerol B
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