Chem
J-GLOBAL ID：201307009904370452   Nikkaji number：J3.216.070K

1-O-[6-O-Acetyl-3-O-[(Z)-8-hydroxy-5-tetradecenoyl]-2-O-octanoyl-β-D-mannopyranosyl]-D-erythritol

1-O-[6-O-アセチル-3-O-[(Z)-8-ヒドロキシ-5-テトラデセノイル]-2-O-オクタノイル-β-D-マンノピラノシル]-D-エリトリトール
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： C34H60O13
Molecular formula furigana： C34-H60-O13
Molecular weight： 676.841
InChI： InChI=1S/C34H60O13/c1-4-6-8-10-15-20-30(41)47-33-32(46-29(40)19-16-12-11-14-18-25(37)17-13-9-7-5-2)31(42)28(23-43-24(3)36)45-34(33)44-22-27(39)26(38)21-35/h11,14,25-28,31-35,37-39,42H,4-10,12-13,15-23H2,1-3H3/b14-11-/t25?,26-,27+,28-,31-,32+,33+,34-/m1/s1
InChI key： LCGBXNIERJANHE-CGAGUNEBSA-N
SMILES： CCCCCCCC(=O)O[C@@H]1[C@H](OC[C@H](O)[C@H](O)CO)O[C@H](COC(=O)C)[C@@H](O)[C@@H]1OC(=O)CCC/C=C\CC(O)CCCCCC
Systematic name  (3)：
  • 1-O-[6-O-アセチル-3-O-[(Z)-8-ヒドロキシ-5-テトラデセノイル]-2-O-オクタノイル-β-D-マンノピラノシル]-D-エリトリトール
  • (2R,3R,4S,5S,6R)-2-[(アセチルオキシ)メチル]-3-ヒドロキシ-5-(オクタノイルオキシ)-6-[(2S,3R)-2,3,4-トリヒドロキシブトキシ]オキサン-4-イル (5Z)-8-ヒドロキシテトラデカ-5-エノアート
  • (2R,3R,4S,5S,6R)-2-[(acetyloxy)methyl]-3-hydroxy-5-(octanoyloxy)-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl (5Z)-8-hydroxytetradec-5-enoate
Other name (1)：
  • 1-O-[6-O-Acetyl-3-O-[(Z)-8-hydroxy-5-tetradecenoyl]-2-O-octanoyl-β-D-mannopyranosyl]-D-erythritol
Thsaurus map：
Thesaurus Map

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