1-(4-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one

• ChemBase编号: 73012
• 分子式: C27H34O14
• 平均质量: 582.55046
• 单一同位素质量: 582.19485577
• SMILES: c1(cc(c(c(c1)O)C(=O)CCc1ccc(cc1)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)CO
• Canonical SMILES: OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
• InChI: InChI=1S/C27H34O14/c1-11-20(33)22(35)24(37)26(38-11)41-25-23(36)21(34)18(10-28)40-27(25)39-14-8-16(31)19(17(32)9-14)15(30)7-4-12-2-5-13(29)6-3-12/h2-3,5-6,8-9,11,18,20-29,31-37H,4,7,10H2,1H3/t11-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
• InChIKey: CWBZAESOUBENAP-QVNVHUMTSA-N

名称和登记号

名称

• IUPAC标准名: 1-(4-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
• IUPAC传统名: 1-(4-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
• 别名: Naringin DC; Naringin Dihydrochalcone

登记号

• CAS号: 18916-17-1
• PubChem SID: 162037932
• PubChem CID: 9894584

理论计算性质

• Acid pKa: 9.337157
• 质子受体: 14
• 质子供体: 9
• LogD (pH = 5.5): 0.903484
• LogD (pH = 7.4): 0.89857626
• Log P: 0.90354675
• 摩尔折射率: 136.7213 cm^3
• 极化性: 54.758804 Å^3
• 极化表面积: 236.06 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

安全信息

• 保存条件: -20°C

产品相关信息

• 成盐信息: Free Base

详细说明

Selleck Chemicals - S2389

Research Area: Metabolic Disease
Biological Activity:
Naringin Dihydrochalcone(Naringin DC) is a new-style sweetening agent and an artificial sweetener derived from naringin, a bitter compound found in citrus. [1] It is 500-700 times sweeter than sucrose. Due to its many advantages like high sweet taste, low caloric, innocuity and safety, it can be used in edible, medicine and commodity trade. And because it tastes cleanlily, has long aftertaste and special faint scent and owns fine virtue of shielding bitterness, Naringin DC is in particular used for milky goods, fattiness and grease, freezed foodstuff, machining vegetable, jelly, comfiture, nonalcohol beverage, chewing gum, toothpaste and troche. Besides, it can substitute sugar for decreasing body absorption to sugar. It is really a evangel for fat person and patients who can not eat sugar.

参考文献

• http://en.wikipedia.org/wiki/Naringin_dihydrochalcone