17575-20-1 (毛花洋地黄苷A,Card-20(22)-enolide,3-[(O-b-D-glucopyranosyl-(1®4)-O-3-O-acetyl-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-2,6-dideoxy-b-D-ribo-hexopyranosyl)oxy]-14-hydroxy-,(3b,5b)-)

CAS号:
17575-20-1
中文名称:
毛花洋地黄苷A
英文名称:
Card-20(22)-enolide,3-[(O-b-D-glucopyranosyl-(1®4)-O-3-O-acetyl-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-2,6-dideoxy-b-D-ribo-hexopyranosyl)oxy]-14-hydroxy-,(3b,5b)-
分子式:
C49H76O19
分子量:
969.116357803345

毛花洋地黄苷A(17575-20-1)名称与标识符

名称

中文别名:
毛花洋地黄苷A;3-氯-2-甲氧基-5-(三氟甲基)吡啶;毛花苷A;毛花洋地黄甙A;乙酰毛地黄毒苷葡萄糖苷;毛地黄苷A;
英文别名:
LANATOSIDE A;4)-2,6-dideoxy-b-D-ribo-hexopyranosyl)oxy]-14-hydroxy-,(3b,5b)-;4)-O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-O-3-O-acetyl-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®adigal;digilanida;DIGILANIDE A;Digitoxigenin 3-O-bisdigitoxosideacetyldigilanidobioside,or lanatoside A;digitoxigenin+2digitoxose+acetyl-digilanidobose;Lanatosid A;20(22),5BETA-CARDENOLID-3BETA,14BETA-DIOL 3BETA-(O-BETA-D-GLUCOPYRANOSYL-(1->4)-O-BETA-D-[3-O-ACETYLDIGITOXOPYRANOSYL]-1(1->4)O-BETA-D-DIGITOXOPYRANOSYL-(1->4)-O-BETA-D-DIGITOXOPYRANOSIDE);MLS002701895;NSC-7532;FT-0630438;DTXSID00860207;SMR001565481;NSC7532;3-{[hexopyranosyl-(1->4)-3-O-acetyl-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide;Lanatosides;17575-20-1;UNII-H4BU39831E;Card-20(22)-enolide, 3-((O-beta-D-glucopyranosyl-(1-4)-O-3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-;NSC 7532;Digilanid A;EINECS 241-544-0;3-((O-beta-D-Glucopyranosyl-(1-4)-O-3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide (3beta,5beta)-;Lanatosid A [German];(3.BETA.,5.BETA.)-3-((O-.BETA.-D-GLUCOPYRANOSYL-(1->4)-O-3-O-ACETYL-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-O-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-14-HYDROXYCARD-20(22)-ENOLIDE;CARD-20(22)-ENOLIDE, 3-((O-.BETA.-D-GLUCOPYRANOSYL-(1->4)-O-3-O-ACETYL-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-O-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-14-HYDROXY-, (3.BETA.,5.BETA.)-;Digitoxigenin + 2 digitoxose + acetyl-digilanidobose;CHEMBL3391717;LANATOSIDE A [MI];Digitoxigenin + 2 digitoxose + acetyl-digilanidobose [German];Q27279629;BRN 0078336;H4BU39831E;MLSMR;Card-20(22)-enolide, 3-[(O-.beta.-D-glucopyranosyl-(1.fwdarw.4)-O-3-O-acetyl-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3.beta.,5.beta.)-;

标识符

InChIKey:
YFGQJKBUXPKSAW-YSTAXILLSA-N
Inchi:
1S/C49H76O19/c1-22-43(66-38-18-33(53)44(23(2)61-38)67-39-19-34(63-25(4)51)45(24(3)62-39)68-46-42(57)41(56)40(55)35(20-50)65-46)32(52)17-37(60-22)64-28-9-12-47(5)27(16-28)7-8-31-30(47)10-13-48(6)29(11-14-49(31,48)58)26-15-36(54)59-21-26/h15,22-24,27-35,37-46,50,52-53,55-58H,7-14,16-21H2,1-6H3/t22-,23-,24-,27-,28+,29-,30+,31-,32+,33+,34+,35-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49+/m1/s1
SMILES:
O[C@]12CC[C@H](C3=CC(=O)OC3)[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](C[C@H]3CC[C@@H]21)O[C@H]1C[C@@H]([C@@H]([C@@H](C)O1)O[C@H]1C[C@@H]([C@@H]([C@@H](C)O1)O[C@H]1C[C@@H]([C@@H]([C@@H](C)O1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)OC(C)=O)O)O

毛花洋地黄苷A(17575-20-1)物化性质

实验特性

  • LogP : 1.64230
  • PSA : 268.05000
  • 折射率 : 1.6500 (estimate)
  • 沸点 : 738.37°C (rough estimate)
  • 熔点 : 245-248°C
  • 闪点 : °C
  • 比旋光度 : D20 +31.6° (0.48 g in 25 ml 95% alc); D20 +23.2° (0.95 g in 25 ml dioxane)
  • 密度 : 1.1154 (rough estimate)

计算特性

  • 精确分子量 : 968.49800
  • 氢键供体数量 : 7
  • 氢键受体数量 : 19
  • 可旋转化学键数量 : 12
  • 同位素质量 : 968.498
  • 重原子数量 : 68
  • 复杂度 : 1840
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 25
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.8
  • 拓扑分子极性表面积 : 268A^2

毛花洋地黄苷A(17575-20-1)推荐厂家 更多厂家(16)

公司名称手机号/电话联系人QQ微信询单
湖北摆渡化学有限公司 13517219350
13517219350
彭星 1400878899
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湖北巨胜科技有限公司 18871490354王珊 1400848866
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湖北成海化工有限公司 13986212397
027-59220433
张思胧 1400858822
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湖北鑫红利化工有限公司 15172537016
027-59503710
吕经理 1018283355
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巨胜化学研究院 18064118002
027-59599240
陈盼 1400838822
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湖北达豪化工有限公司 13986246535刘紫莹 1400878822
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湖北广奥生物科技有限公司 13657291602
13657291602
郭银 1098480033
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天门恒昌化工有限公司 15102714773
027-59322316
雷经理 1178380033
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湖北齐飞医药化工有限公司 18071128683
027-59322506
汪经理18071128683(微信同号) 1438280077
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湖北拓邦化工有限公司 15102763473
027-59106185
涂梦婷 1400868822/1248089955
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