Chem
J-GLOBAL ID:201207000618690399
Nikkaji number:J3.006.288D
(8Z)-1-[2-O-(β-D-Glucurono pyranosyl)-β-D-glucopyranosyloxy]-8-decene-4,6-diyne
(8Z)-1-[2-O-(β-D-グルクロノピラノシル)-β-D-グルコピラノシルオキシ]-8-デセン-4,6-ジイン
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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:
C22 H30 O12
Molecular formula furigana:
C22-H30-O12
Molecular weight:
486.470
InChI:
InChI=1S/C22H30O12/c1-2-3-4-5-6-7-8-9-10-31-22-19(15(26)13(24)12(11-23)32-22)34-21-17(28)14(25)16(27)18(33-21)20(29)30/h2-3,12-19,21-28H,8-11H2,1H3,(H,29,30)/b3-2-/t12-,13-,14+,15+,16+,17-,18+,19-,21+,22-/m1/s1
InChI key:
FGNHTBMBJBRSIA-HVCLMKLXSA-N
SMILES:
C/C=C\C#CC#CCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O
Systematic name (3):
(8Z)-1-[2-O-(β-D-グルクロノピラノシル)-β-D-グルコピラノシルオキシ]-8-デセン-4,6-ジイン
(2S,3S,4S,5R,6R)-6-{[(2R,3R,4S,5S,6R)-2-[(8Z)-デカ-8-エン-4,6-ジイン-1-イルオキシ]-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-3-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-カルボン酸
(2S,3S,4S,5R,6R)-6-{[(2R,3R,4S,5S,6R)-2-[(8Z)-dec-8-en-4,6-diyn-1-yloxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Other name (1):
(8Z)-1-[2-O-(β-D-Glucurono pyranosyl)-β-D-glucopyranosyloxy]-8-decene-4,6-diyne
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