57794-53-3 ((vindoline)

结构式:
CAS号:
57794-53-3
英文名称:
vindoline
分子式:
C25H32N2O6
分子量:
456.531387329102

vindoline(57794-53-3)名称与标识符

名称

英文别名:
vindoline;Methyl 11-(acetyloxy)-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo(10.6.1.0,.0,.0,)nonadeca-2(7),3,5,13-tetraene-10-carboxylic acid;Methyl 11-(acetyloxy)-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0,.0,.0,]nonadeca-2(7),3,5,13-tetraene-10-carboxylic acid;Vindoline, citrate, (2beta,3beta,4beta,5alpha,12beta,19alpha)-isomer;(2BETA,3BETA,4BETA,5ALPHA,12BETA,19ALPHA)-4-(ACETYLOXY)-6,7-DIDEHYDRO-3-HYDROXY-16-METHOXY-1-METHYLASPIDOSPERMIDINE-3-CARBOXYLIC ACID METHYL ESTER;NSC-628056;CHEMBL2001832;s3970;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;(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;NSC823866;2182-14-1;NSC 91994;methyl (1R,9R,10S,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;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;Vindoline, >=98.0% (HPLC);AKOS032962057;NSC91994;BRD-K64280411-001-01-7;Q15427936;(2?,3?,4?,5?,12?,19?)-4-(Acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1 -methyl-aspidospermidine-3-carboxylic acid methyl ester;NSC91994;(-)-Vindoline;NSC-91994;EINECS 218-558-0;57794-53-3;571PJ1LW03;SR-05000002168;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.)-;SR-05000002168-3;Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2beta,3beta,4beta,5alpha,12beta,19alpha)-;CCG-208615;ACon1_000494;NCGC00163666-02;VINDOLINE [MI];methyl 4beta-acetyloxy-3beta-hydroxy-16-methoxy-1-methyl-6,7-didehydro-2beta,5alpha,12beta,19alpha-aspidospermidine-3alpha-carboxylate;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;DTXSID901045589;UNII-571PJ1LW03;(-)-Vindoline;SMP2_000150;ASPIDOSPERMIDINE-3-CARBOXYLIC ACID, 4-(ACETYLOXY)-6,7-DIDEHYDRO-3-HYDROXY-16-METHOXY-1-METHYL-, METHYL ESTER, (2BETA,3BETA,4BETA,5ALPHA,12R,19ALPHA)-;218-558-0;SCHEMBL234532;SR-05000002168-2;Vindolin;10197-89-4;NCI60_042033;CHEBI:16380;MFCD27991347;Methyl 4-(acetyloxy)-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate;NSC 628056;methyl (1R,9R,10S,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;MEGxp0_001802;HY-N0687;CS-0009711;(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;FV10830;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.)-;NSC628056;NSC-823866;Vindoline (8CI);(2beta,3beta,4beta,5alpha,12beta,19alpha)-4-(Acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methylaspidospermidine-3-carboxylic acid;Vindoline, monohydrochloride, (2beta,3beta,4beta,5alpha,12beta,19alpha)-isomer;

标识符

MDL:
MFCD27991347
InChIKey:
CXBGOBGJHGGWIE-ACSXSLCXSA-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-/m0/s1
SMILES:
O(C(C)=O)[C@H]1[C@](C(=O)OC)([C@H]2[C@@]3(C4C=CC(=CC=4N2C)OC)CCN2CC=C[C@]1(CC)[C@H]23)O

vindoline(57794-53-3)物化性质

计算特性

  • 精确分子量 : 456.22603674Da
  • 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 : 456.22603674Da
  • 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 : 6
  • 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) : 1.3
  • 拓扑分子极性表面积 : 88.5Ų

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公司名称手机号/电话联系人QQ微信询单
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021-68920155
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