Chem
J-GLOBAL ID：200907077997047128   Nikkaji number：J2.310.994H

(6Z,9Z)-1,17-[Oxy(6-O-acetyl-1,4-dideoxy-β-D-glucopyranose-4,1-diyl)oxy(6-O-acetyl-1,2-dideoxy-β-D-glucopyranose-2,1-diyl)oxy]-1-oxo-6,9-octadecadiene

(6Z,9Z)-1,17-[オキシ(6-O-アセチル-1,4-ジデオキシ-β-D-グルコピラノース-4,1-ジイル)オキシ(6-O-アセチル-1,2-ジデオキシ-β-D-グルコピラノース-2,1-ジイル)オキシ]-1-オキソ-6,9-オクタデカジエン
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： C34H54O14
Molecular formula furigana： C34-H54-O14
Molecular weight： 686.792
InChI： InChI=1S/C34H54O14/c1-21-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-26(37)47-31-25(20-43-23(3)36)46-33(30(41)29(31)40)48-32-28(39)27(38)24(19-42-22(2)35)45-34(32)44-21/h4-5,8,10,21,24-25,27-34,38-41H,6-7,9,11-20H2,1-3H3/b5-4-,10-8-/t21?,24-,25-,27-,28+,29-,30-,31-,32-,33+,34-/m1/s1
InChI key： OXYYVKNAKCWQQY-KINSJLBRSA-N
SMILES： CC1CCCCCC/C=C\C/C=C\CCCCC(=O)O[C@@H]2[C@@H](COC(=O)C)O[C@@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](COC(=O)C)O[C@H]3O1)[C@H](O)[C@H]2O
Systematic name  (3)：
  • (6Z,9Z)-1,17-[オキシ(6-O-アセチル-1,4-ジデオキシ-β-D-グルコピラノース-4,1-ジイル)オキシ(6-O-アセチル-1,2-ジデオキシ-β-D-グルコピラノース-2,1-ジイル)オキシ]-1-オキソ-6,9-オクタデカジエン
  • [(1S,3R,4S,5S,6R,8R,17Z,20Z,28S,29R,31R,32R)-6-[(アセチルオキシ)メチル]-4,5,31,32-テトラヒドロキシ-10-メチル-26-オキソ-2,7,9,27,30-ペンタオキサトリシクロ[26.2.2.03,8]ドトリアコンタ-17,20-ジエン-29-イル]メチル アセタート
  • [(1S,3R,4S,5S,6R,8R,17Z,20Z,28S,29R,31R,32R)-6-[(acetyloxy)methyl]-4,5,31,32-tetrahydroxy-10-methyl-26-oxo-2,7,9,27,30-pentaoxatricyclo[26.2.2.03,8]dotriaconta-17,20-dien-29-yl]methyl acetate
Other name (1)：
  • (6Z,9Z)-1,17-[Oxy(6-O-acetyl-1,4-dideoxy-β-D-glucopyranose-4,1-diyl)oxy(6-O-acetyl-1,2-dideoxy-β-D-glucopyranose-2,1-diyl)oxy]-1-oxo-6,9-octadecadiene
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