Name: Tubeimoside III
Rating: 5 (10 reviews)

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HIT ID:HIT212658553
Cas No:115810-13-4
常用名:Tubeimoside III
别名:土贝母苷丙
IUPAC:(1R,4S,7S,8S,9R,11S,13S,14S,18S,23S,24R,25R,26S,27S,29R,30S,31S,32R,34R,36R,37S,39R,40R,43R,44R,48S,53R,55S,56R,58S,59R)-7,8,18,24,25,26,30,31,37,53,59-undecahydroxy-32,56-bis(hydroxymethyl)-13,18,39,43,50,50,55,56-octamethyl-58-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,5,10,12,15,21,28,33,35,57-decaoxadecacyclo[41.9.3.2^{11,14}.1^{23,27}.1^{36,40}.0^{1,48}.0^{4,9}.0^{29,34}.0^{39,44}.0^{47,55}]nonapentacont-46-ene-2,16,20-trione
IUPAC:(1R,4S,7S,8S,9R,11S,13S,14S,18S,23S,24R,25R,26S,27S,29R,30S,31S,32R,34R,36R,37S,39R,40R,43R,44R,48S,53R,55S,56R,58S,59R)-7,8,18,24,25,26,30,31,37,53,59-undecahydroxy-32,56-bis(hydroxymethyl)-13,18,39,43,50,50,55,56-octamethyl-58-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,5,10,12,15,21,28,33,35,57-decaoxadecacyclo[41.9.3.2^{11,14}.1^{23,27}.1^{36,40}.0^{1,48}.0^{4,9}.0^{29,34}.0^{39,44}.0^{47,55}]nonapentacont-46-ene-2,16,20-trione
InChI key:MTICHQXHYUJVDV-LLLISOPHSA-N

分子式:C64H100O31
分子量:1365.473
氢键供体数 (HBD):16
氢键受体数 (HBA):28
LogP:-3.4547822
SMILES:C[C@@H]1O[C@H]2O[C@@H]3[C@@H](O)[C@@H](O)CO[C@H]3OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](COC(=O)C[C@](C)(O)CC(=O)O[C@@H]1[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O |t:26|
SMILES:C[C@@H]1O[C@H]2O[C@@H]3[C@@H](O)[C@@H](O)CO[C@H]3OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](COC(=O)C[C@](C)(O)CC(=O)O[C@@H]1[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O |t:26|

Tubeimoside III (Standard) 是 Tubeimoside III 的标准品。适用于定量分析、质量控制及生化实验等相关研究。Tubeimoside III 是一种具有抗炎和抗肿瘤活性的三萜皂苷，在体内具急性毒性。

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