Name: Compound TN12322
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT215037164
Cas No:
常用名:Compound TN12322
别名:(3E,6E)-4,9-dimethyl-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}dodeca-3,6-dienedioic acid
别名:(3E,6E)-4,9-dimethyl-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}dodeca-3,6-dienedioic acid
IUPAC:(3E,6E)-4,9-dimethyl-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}dodeca-3,6-dienedioic acid
IUPAC:(3E,6E)-4,9-dimethyl-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}dodeca-3,6-dienedioic acid
InChI key:KJOTUTGNNOGBFW-TZAGDQEISA-N

分子式:C26H42O14
分子量:578.608
氢键供体数 (HBD):8
氢键受体数 (HBA):14
LogP:-0.683
SMILES:CC(C\C=C\C\C(C)=C\CC(O)=O)C(CC(O)=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
SMILES:CC(C\C=C\C\C(C)=C\CC(O)=O)C(CC(O)=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

(3E,6E)-4,9-dimethyl-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}dodeca-3,6-dienedioic acid是一种高纯度生化试剂，可用于生物化学实验和药物合成研究。

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