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文朵灵 | 2182-14-1

文朵灵
Vindoline
2182-14-1
C25H32N2O6
456.5314
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:文朵灵结构式
文朵灵MSDS
260535
文朵灵价格
简介
文朵灵是一种化学物质,分子式C25H32N2O6,分子量是456.54。
名称和标识符
MDL MFCD27991347
InChIKey CXBGOBGJHGGWIE-VJAGLATISA-N
Inchi 1S/C25H32N2O6/c1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-16(31-4)14-18(17)26(3)20(24)25(30,22(29)32-5)21(23)33-15(2)28/h7-10,14,19-21,30H,6,11-13H2,1-5H3/t19-,20+,21?,23-,24-,25+/m1/s1
SMILES O(C(C([H])([H])[H])=O)C1([H])[C@](C(=O)OC([H])([H])[H])([C@]2([H])[C@@]3(C4C([H])=C([H])C(=C([H])C=4N2C([H])([H])[H])OC([H])([H])[H])C([H])([H])C([H])([H])N2C([H])([H])C([H])=C([H])[C@]1(C([H])([H])C([H])([H])[H])[C@@]23[H])O[H]
别名信息
- 中文别名 -
  • 文朵灵
  • 文多灵
  • 长春花朵灵
  • 文朵靈鹼
  • 文多林
  • 文多灵(文朵灵)
  • 文多灵,Vindoline,植物提取物,标准品,对照品
  • 文朵灵 文多灵
  • 文朵灵,Vindoline
  • 文朵灵工厂
  • 文多灵(对照品)
- 英文别名 -
  • Vindoline
  • Vindoline free base
  • Bufexamacum
  • aspidospermidine-3-carboxylicacid,4-(acetyloxy)-6,7-didehydro-3-hydroxy-16-me
  • thoxy-1-methyl-,methylester,(2-beta,3-beta,4-beta,5-alpha,12-beta,19-alpha)
  • vindolin
  • Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2beta,3beta,4beta,5alpha,12beta,19alpha)-
  • (2beta,3beta,4beta,5alpha,12beta,19alpha)-4-(Acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methyl-aspidospermidine-3-carboxylic acid methyl ester
  • Vindoline Tartrate
  • VINDOLINE(RG) PrintBack
  • Vindoline, froM Myrica rubra
  • 4-acetoxy-3-hydroxy-16-methoxy-1-methyl-6,7-didehydro-aspidospermidine-3-carboxylic acid methyl ester
  • [ "" ]
  • Methyl (1R,9S,10S,12R,19S)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[
  • Methyl (1R,9S,10S,12R,19S)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
  • SCHEMBL234532
  • NSC 91994
  • SR-05000002168-3
  • VINDOLINE [MI]
  • EINECS 218-558-0
  • 57794-53-3
  • Methyl (3aR,4R,5S,5aR,10bR,13aR)-4-(acetyloxy)-3a-ethyl-5-hydroxy-8- methoxy-6-methyl-3a,4,5,5a,6,11,12,13a-octahydro-1H-indolizino[8,1- cd]carbazole-5-carboxylate
  • Vindolin
  • Aspidospermidine-3-carboxylic acid,7-didehydro-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2.beta.,3.beta.,4.beta.,5.alpha.,12.beta.,19.alpha.)-
  • NSC-628056
  • CHEBI:16380
  • Methyl 4-(acetyloxy)-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate
  • MEGxp0_001802
  • HY-N0687
  • s3970
  • (-)-Vindoline
  • DTXSID901045589
  • SR-05000002168-2
  • NSC91994
  • NSC-91994
  • AKOS032962057
  • Q15427936
  • ASPIDOSPERMIDINE-3-CARBOXYLIC ACID, 4-(ACETYLOXY)-6,7-DIDEHYDRO-3-HYDROXY-16-METHOXY-1-METHYL-, METHYL ESTER, (2.BETA.,3.BETA.,4.BETA.,5.ALPHA.,12R,19.ALPHA.)-
  • NSC823866
  • NCI60_042033
  • CCG-208615
  • Vindoline, >=98.0% (HPLC)
  • NCGC00163666-02
  • (2beta,3beta,4beta,5alpha,12beta,19alpha)-4-(Acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methylaspidospermidine-3-carboxylic acid
  • CHEMBL2001832
  • NSC 628056
  • NSC-823866
  • CS-0009711
  • SR-05000002168
  • methyl 4beta-acetyloxy-3beta-hydroxy-16-methoxy-1-methyl-6,7-didehydro-2beta,5alpha,12beta,19alpha-aspidospermidine-3alpha-carboxylate
  • 571PJ1LW03
  • UNII-571PJ1LW03
  • (2.BETA.,3.BETA.,4.BETA.,5.ALPHA.,12.BETA.,19.ALPHA.)-4-(ACETYLOXY)-6,7-DIDEHYDRO-3-HYDROXY-16-METHOXY-1-METHYLASPIDOSPERMIDINE-3-CARBOXYLIC ACID METHYL ESTER
  • 2182-14-1
  • ACon1_000494
  • MFCD27991347
  • BRD-K64280411-001-01-7
  • SMP2_000150
  • B0005-464462
  • Oprea1_516969
  • NS00018366
  • BCP20999
  • SCHEMBL10018528
  • AKOS015895493
  • Methyl (1R,9R,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
  • C01626
  • Methyl (1S,9S,10R,11S,12S,19S)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
  • Vindoline, (-)-
  • (2beta,3beta,4beta,5alpha,12beta,19alpha)-4-(acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methyl-aspidospermidine-3-carboxylic acid methyl ester
  • A878920
物化性质
实验特性
LogP 1.64420
PSA 88.54000
折射率 1.626
沸点 569.8 °C at 760 mmHg
熔点 164-165°C
闪点 298.4 °C
颜色与性状 Powder
溶解性 可溶于水
酸度系数(pKa) 5.5 in 66% DMF (Moza, Trojánek)
比旋光度 -65±3°, (c=1.5, in methanol)
密度 1.3300
计算特性
精确分子量 456.22600
氢键供体数量 1
氢键受体数量 8
可旋转化学键数量 6
同位素质量 456.226
重原子数量 33
复杂度 864
同位素原子数量 0
确定原子立构中心数量 5
不确定原子立构中心数量 1
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) 1.3
表面电荷 0
拓扑分子极性表面积 88.5
分子量 456.5
国际标准相关数据
EINECS 218-558-0
相关文献
专业数据库参考
PubChemId 260535
参考资料
Reaxys RN
Beilstein 218-558-0
文朵灵推荐生产厂家
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