Chem
J-GLOBAL ID:200907057695069075
Nikkaji number:J396.389F
Xylotetraose
キシロテトラオース
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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:
C20 H34 O17
Molecular formula furigana:
C20-H34-O17
Molecular weight:
546.475
InChI:
InChI=1S/C20H34O17/c21-1-6(23)11(25)8(2-22)35-19-16(30)13(27)10(4-33-19)37-20-17(31)14(28)9(5-34-20)36-18-15(29)12(26)7(24)3-32-18/h1,6-20,22-31H,2-5H2/t6-,7+,8+,9+,10+,11+,12-,13-,14-,15+,16+,17+,18-,19-,20-/m0/s1
InChI key:
JVZHSOSUTPAVII-MESLASACSA-N
SMILES:
OC[C@@H](O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C=O
Systematic name (3):
4-O-[4-O-[4-O-(β-D-キシロピラノシル)-β-D-キシロピラノシル]-β-D-キシロピラノシル]-D-キシロース
(2R,3R,4R)-4-{[(2S,3R,4R,5R)-5-{[(2S,3R,4R,5R)-3,4-ジヒドロキシ-5-{[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-3,4-ジヒドロキシオキサン-2-イル]オキシ}-2,3,5-トリヒドロキシペンタナール
(2R,3R,4R)-4-{[(2S,3R,4R,5R)-5-{[(2S,3R,4R,5R)-3,4-dihydroxy-5-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]oxy}-2,3,5-trihydroxypentanal
Other name (3):
キシロテトラオース
Xylotetraose
4-O-[4-O-[4-O-(β-D-Xylopyranosyl)-β-D-xylopyranosyl]-β-D-xylopyranosyl]-D-xylose
CAS registry number:
22416-58-6
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