Chem
J-GLOBAL ID：200907002428885689   Nikkaji number：J912.642B

Neoagarotetraose

ネオアガロテトラオース
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： C24H38O19
Molecular formula furigana： C24-H38-O19
Molecular weight： 630.549
InChI： InChI=1S/C24H38O19/c25-1-6(28)11(30)17(7(29)2-26)41-24-16(35)21-18(10(40-24)5-37-21)42-23-15(34)20(12(31)8(3-27)38-23)43-22-14(33)19-13(32)9(39-22)4-36-19/h2,6-25,27-35H,1,3-5H2/t6-,7+,8-,9+,10+,11+,12+,13-,14+,15-,16+,17-,18-,19-,20+,21+,22+,23+,24+/m1/s1
InChI key： ZGTFLOAQMKPQMR-HTBJDXAFSA-N
SMILES： OC[C@@H](O)[C@H](O)[C@H](O[C@@H]1O[C@H]2CO[C@H]([C@@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H]4CO[C@H]([C@@H]4O)[C@@H]3O)[C@H]2O)[C@@H]1O)[C@@H](O)C=O
Systematic name  (3)：
  • 3-O-[4-O-[3-O-(3,6-アンヒドロ-α-L-ガラクトピラノシル)-β-D-ガラクトピラノシル]-3,6-アンヒドロ-α-L-ガラクトピラノシル]-D-ガラクトース
  • (2R,3S,4S,5R)-3-{[(1S,3S,4S,5S,8R)-8-{[(2S,3R,4S,5S,6R)-4-{[(1S,3S,4S,5R,8R)-4,8-ジヒドロキシ-2,6-ジオキサビシクロ[3.2.1]オクタン-3-イル]オキシ}-3,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-4-ヒドロキシ-2,6-ジオキサビシクロ[3.2.1]オクタン-3-イル]オキシ}-2,4,5,6-テトラヒドロキシヘキサナール
  • (2R,3S,4S,5R)-3-{[(1S,3S,4S,5S,8R)-8-{[(2S,3R,4S,5S,6R)-4-{[(1S,3S,4S,5R,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy}-2,4,5,6-tetrahydroxyhexanal
Other name (3)：
  • ネオアガロテトラオース
  • Neoagarotetraose
  • 3-O-[4-O-[3-O-(3,6-Anhydro-α-L-galactopyranosyl)-β-D-galactopyranosyl]-3,6-anhydro-α-L-galactopyranosyl]-D-galactose
CAS registry number： 16033-31-1
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