Chem
J-GLOBAL ID:200907003326404461
Nikkaji number:J2.250.662E
(5S)-1,7-Bis(3,4-dihydroxyphenyl)-5-(β-D-xylopyranosyloxy)-3-heptanol
(5S)-1,7-ビス(3,4-ジヒドロキシフェニル)-5-(β-D-キシロピラノシルオキシ)-3-ヘプタノール
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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:
C24 H32 O10
Molecular formula furigana:
C24-H32-O10
Molecular weight:
480.510
InChI:
InChI=1S/C24H32O10/c25-15(5-1-13-3-7-17(26)19(28)9-13)11-16(6-2-14-4-8-18(27)20(29)10-14)34-24-23(32)22(31)21(30)12-33-24/h3-4,7-10,15-16,21-32H,1-2,5-6,11-12H2/t15?,16-,21+,22-,23+,24-/m0/s1
InChI key:
YADPIIYIQKBQFD-HXGZGXHQSA-N
SMILES:
OC(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
Systematic name (3):
(5S)-1,7-ビス(3,4-ジヒドロキシフェニル)-5-(β-D-キシロピラノシルオキシ)-3-ヘプタノール
(2S,3R,4S,5R)-2-{[(3S)-1,7-ビス(3,4-ジヒドロキシフェニル)-5-ヒドロキシヘプタン-3-イル]オキシ}オキサン-3,4,5-トリオール
(2S,3R,4S,5R)-2-{[(3S)-1,7-bis(3,4-dihydroxyphenyl)-5-hydroxyheptan-3-yl]oxy}oxane-3,4,5-triol
Other name (1):
(5S)-1,7-Bis(3,4-dihydroxyphenyl)-5-(β-D-xylopyranosyloxy)-3-heptanol
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