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去乙酰西地兰 | 17598-65-1

去乙酰西地兰结构式图片|17598-65-1结构式图片
去乙酰西地兰
Deslanoside
17598-65-1
C47H74O19
943.08
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:去乙酰西地兰结构式
28620
去乙酰西地兰价格
简介
Deslanoside (Desacetyllanatoside C) 是一种快速作用的强心苷,用于研究充血性心力衰竭和因折返机制引起的室上性心律失常,并在研究慢性心房颤动时控制心室率。Deslanoside 抑制 Na-K-ATPase 膜泵,导致细胞内钠和钙浓度增加。
名称和标识符
MDL MFCD00135818
InChIKey OBATZBGFDSVCJD-LALPQLPRSA-N
Inchi InChI=1S/C47H74O19/c1-20-41(64-36-16-30(50)42(21(2)60-36)65-37-17-31(51)43(22(3)61-37)66-44-40(56)39(55)38(54)32(18-48)63-44)29(49)15-35(59-20)62-25-8-10-45(4)24(13-25)6-7-27-28(45)14-33(52)46(5)26(9-11-47(27,46)57)23-12-34(53)58-19-23/h12,20-22,24-33,35-44,48-52,54-57H,6-11,13-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46+,47+/m1/s1
SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](C)O[C@@H](O[C@@H]4[C@@H](C)O[C@@H](O[C@H]5CC[C@@]6([C@H]7C[C@@H](O)[C@@]8([C@H](CC[C@]8(O)[C@@H]7CC[C@@H]6C5)C5COC(=O)C=5)C)C)C[C@@H]4O)C[C@@H]3O)C[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
别名信息
- 中文别名 -
  • 西地兰
  • 毛花强心苷丙
  • 去乙酰毛花苷丙
  • 去乙酰毛花苷
  • 毛地黄苷C
  • 毛花洋地黄苷C
  • 乙酰地谷新葡萄糖苷
  • 去乙酰西地兰
  • 2-(4-氯苯基)硫代乙酰胺
  • 去乙酰毛花甙(毒)
  • 去乙酰毛花甙丙
  • 去乙酰毛花苷 EP标准品
  • 去乙酰毛花苷C
  • 去乙酰毛花苷C标准品
  • 去乙酰毛花苷丙 USP标准品
  • 去乙酰西地兰标准品
  • 脱乙酰基毛花洋地黄苷C
  • 脱乙酰基毛花一级丙甙(RG)
  • 西地兰标准品(JP)
  • 去乙酰毛花苷丙(分析标准品)
- 英文别名 -
  • Deslanoside
  • DEACETYLLANATOSIDE C
  • DESLANOSIDUM
  • cedilanidd
  • deacetyl-lanatoside
  • desacetyllanatosidec
  • descetyldigilanidec
  • deslanatoside
  • DEACETYLLANATOSIDE C(RG)
  • deacetyl-lanatoside C
  • Deacetyllanatoside C,Desacetyllanatoside C
  • de-O-acetyl-lanatoside C
  • Desace
  • Desacetyllanatosid C
  • Desaci
  • Deslanatoside C
  • glucodigoxin
  • sediranido
  • 4-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one
  • Deslanoside C
  • Desacetyllanatoside C
  • 3beta-(O-beta-D-Glucopyranosyl-(1-4)-O-beta-D-digitoxosyl-(1-4)-O-beta-D-digitoxosyl-(1-4)-beta-D-digitoxosyloxy-12beta,14-dihydroxy-5beta,14beta-card-20(22)-enolid
  • DESLANOSIDE [JAN]
  • DESLANOSIDE (USP-RS)
  • Deslanosido
  • Sediranido
  • NS00025778
  • Cedilanid-d (TN)
  • 3beta-{[beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12beta,14-dihydroxy-5beta-card-20(22)-enolide
  • DESLANOSIDE [ORANGE BOOK]
  • DTXSID1022897
  • DESLANOSIDE [MI]
  • Lanatoside, Desacetyl
  • DESLANOSIDE (USP IMPURITY)
  • NCGC00159441-02
  • Desacetyl-Lanatoside C
  • Card-20(22)-enolide, 3-((O-beta-D-glucopyranosyl-(1->4)-O-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)-12,14-dihydroxy-, (3beta,5beta,12beta)-
  • 3-[(O-beta-D-glucopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-3beta,5beta,12beta-card-20(22)-enolide
  • MFCD00135818
  • Deslanoside [USP:INN:BAN:JAN]
  • CHEBI:31468
  • DESLANOSIDE [MART.]
  • 4-18-00-02455 (Beilstein Handbook Reference)
  • DESLANOSIDE [USP-RS]
  • DB01078
  • 1ST11160
  • EINECS 241-568-1
  • DESLANOSIDE (EP MONOGRAPH)
  • Deslanosido [INN-Spanish]
  • HY-A0154
  • Q5264583
  • Lanatoside C, deacetyl-
  • YGY317RK75
  • DESLANOSIDE [VANDF]
  • Deslanosidum C
  • Deslanoside (USP:INN:BAN:JAN)
  • (3beta,5beta,12beta)-3-{[beta-D-glucopyranosyl-(1-->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide
  • Deacetyl-lanatoside C
  • D01240
  • Tox21_111671
  • deslanoside
  • CAS-17598-65-1
  • Deslanosidum (INN-Latin)
  • Deslanosido (INN-Spanish)
  • Cedilanide
  • (3beta,5beta,12beta)-3-{[beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide
  • CS-0017480
  • CHEMBL1614
  • 3beta-(beta-D-Glucopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyloxy)-12beta,14-dihydroxy-5beta,14beta-card-20(22)-enolide
  • Cedilanid-D
  • NCGC00159441-03
  • Tox21_111671_1
  • Deslanosid
  • Deslanosidum
  • DESLANOSIDE [INN]
  • DESLANOSIDE [EP MONOGRAPH]
  • CARD-20(22)-ENOLIDE, 3-((O-.BETA.-D-GLUCOPYRANOSYL-(1->4)-O-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)-12,14-DIHYDROXY-, (3.BETA.,5.BETA.,12.BETA.)-
  • Lekozid
  • DTXCID302897
  • BRN 0078187
  • Deacetyllanatoside C
  • Desacetyllanatoside C
  • Desacetyl Lanatoside
  • (3beta,5beta,12beta)-3-((beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide
  • 3-((O-beta-D-glucopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-3beta,5beta,12beta-card-20(22)-enolide
  • SCHEMBL125311
  • OBATZBGFDSVCJD-LALPQLPRSA-N
  • MS-31757
  • Card-20(22)-enolide, 3-((O-beta-D-glucopyranosyl-(1-4)-O-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)-12,14-dihydroxy-, (3beta,5beta,12beta)-
  • DESLANOSIDE (MART.)
  • AKOS040759327
  • C01AA07
  • Deslanosidum [INN-Latin]
  • DESLANOSIDE [USP IMPURITY]
  • Desacetyldigilanide C
  • UNII-YGY317RK75
  • Deacetyllanatoside C
  • DESLANOSIDE [WHO-DD]
  • Deslanoside (JP17/USP/INN)
  • E88575
  • 3-[(O-beta-D-glucopyranosyl-(1-->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-3beta,5beta,12beta-card-20(22)-enolide
  • EN300-23839400
  • Deacetylanatoside C
  • 3beta-((beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12beta,14-dihydroxy-5beta-card-20(22)-enolide
  • GTPL6806
  • 17598-65-1
  • DESLANOSIDE
物化性质
实验特性
LogP 0.04230
PSA 282.21000
折射率 1.6500 (estimate)
沸点 732.1°C (rough estimate)
熔点 220-235°C
闪点 °C
比旋光度 D20 +12° (c = 1.084 in 75% alc)
密度 1.1255 (rough estimate)
计算特性
精确分子量 942.48200
氢键供体数量 9
氢键受体数量 19
可旋转化学键数量 10
同位素质量 942.48243
重原子数量 66
复杂度 1760
同位素原子数量 0
确定原子立构中心数量 26
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) _0.3
拓扑分子极性表面积 282
安全信息
国际标准相关数据
EINECS 241-568-1
相关文献
专业数据库参考
PubChemId 28620
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