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灰毡毛忍冬次皂苷乙 | 146100-02-9

灰毡毛忍冬次皂苷乙结构式图片|146100-02-9结构式图片
中文名称:灰毡毛忍冬次皂苷乙
英文名称:(4As,6aR,6aS,6bR,8aS,9R,12aR,14bR)-10-[(2S)-3-[(2S)-4-[(2S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
CAS No.:146100-02-9 分子式:C53H86O22 分子量:1075.2368
植物源: 山银花  
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击:灰毡毛忍冬次皂苷乙结构式
价格行情:灰毡毛忍冬次皂苷乙价格
灰毡毛忍冬次皂苷乙的其他展现形式
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名称和标识符
Inchi 1S/C53H86O22/c1-23-32(58)41(74-44-38(64)36(62)40(28(20-55)71-44)73-43-37(63)35(61)34(60)27(19-54)70-43)39(65)45(69-23)75-42-33(59)26(57)21-68-46(42)72-31-11-12-49(4)29(50(31,5)22-56)10-13-52(7)30(49)9-8-24-25-18-48(2,3)14-16-53(25,47(66)67)17-15-51(24,52)6/h8,23,25-46,54-65H,9-22H2,1-7H3,(H,66,67)/t23?,25-,26?,27?,28?,29+,30-,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44+,45+,46+,49+,50+,51-,52-,53+/m1/s1
InChIKey KPDVIKCSTOVVEA-NEJQQKEOSA-N
SMILES O([C@@]1([H])C([H])(C([H])(C([H])(C([H])([H])O1)O[H])O[H])O[C@@]1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])[H])O1)O[H])O[C@@]1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)O[H])O[H])O[H])O[H])O[H])O[H])C1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]5(C(=O)O[H])C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@]5([H])C4=C([H])C([H])([H])[C@@]32[H])[C@]1(C([H])([H])[H])C([H])([H])O[H]
别名信息
- 中文别名 -
灰毡毛忍冬次皂苷乙 灰毡毛忍冬次甙乙
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- 英文别名 -
MacranthosideB 2)-a-L-arabinopyranosyl)oxy]-23-hydroxy-, (3b,4a)- 3)-O-6-deoxy-a-L-mannopyranosyl-(1&reg 4)-O-b-D-glucopyranosyl-(1&reg (3beta,4alpha)-3-[(O-beta-D-Glucopyranosyl-(1→4)-O-beta-D-glucopyranosyl-(1→3)-O-6-deoxy-alpha-L-mannopyranosyl-(1→2)-alpha-L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-28-oic acid Pulchinenoside E1 Macranthoside B (4As,6aR,6aS,6bR,8aS,9R,12aR,14bR)-10-[(2S)-3-[(2S)-4-[(2S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5
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物化性质
 计算特性
氢键供体数量 13
氢键受体数量 22
重原子数量 75
可旋转化学键数量 12
复杂度 2060
拓扑分子极性表面积 354
 实验特性
颜色与性状 Powder
密度 1.46±0.1 g/cm3 (20 ºC 760 Torr),
熔点 260-262 ºC
溶解度 Insuluble (8.8E-4 g/L) (25 ºC),

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