477-29-2 (秋水仙碱杂质D(EP) 标准品,Colchicoside)

CAS号:
477-29-2
中文名称:
秋水仙碱杂质D(EP) 标准品
英文名称:
Colchicoside
分子式:
C27H33NO11
分子量:
547.551028966904
植物源:

秋水仙碱杂质D(EP) 标准品(477-29-2)名称与标识符

名称

中文别名:
秋水仙碱EP杂质D;秋水仙碱甙;秋水仙碱苷;秋水仙碱杂质D;秋水仙碱杂质D(EP) 标准品;
英文别名:
Acetamide, N-[(7S)-3-(b-D-glucopyranosyloxy)-5,6,7,9-tetrahydro-1,2,10-trimethoxy-9-oxobenzo[a]heptalen-7-yl]-;Colchicoside;Q11740975;NSC 32992;N-[(7S,12aRa)-3-(beta-D-Glucopyranosyloxy)-1,2,10-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide; Colchicine Imp. D (EP); Colchicoside; Colchicine Impurity D; Thiocolchicoside Impurity D;DTXSID301010233;NSC 624672;NSC-624672;NSC-32992;ACETAMIDE, N-(3-(.BETA.-D-GLUCOPYRANOSYLOXY)-5,6,7,9-TETRAHYDRO-1,2,10-TRIMETHOXY-9-OXOBENZO(A)HEPTALEN-7-YL)-, (S)-;AT23954;ACETAMIDE, N-((7S)-3-(.BETA.-D-GLUCOPYRANOSYLOXY)-5,6,7,9-TETRAHYDRO-1,2,10-TRIMETHOXY-9-OXOBENZO(A)HEPTALEN-7-YL)-;C17963;HY-131300;UNII-DYD0I854K7;BRN 0072204;CS-0132732;N-[(10S)-3,4,14-trimethoxy-13-oxo-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[9.5.0.0(2),?]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl]acetamide;EC 207-513-0;BS-42418;3-Demethylcolchicine glucoside;AKOS040755056;N-[(7S,12aRa)-3-(beta-D-Glucopyranosyloxy)-1,2,10-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide (Colchicoside);N-[(7S)-1,2,10-trimethoxy-9-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide;N-((7S)-3-(.BETA.-D-GLUCOPYRANOSYLOXY)-5,6,7,9-TETRAHYDRO-1,2,10-TRIMETHOXY-9-OXOBENZO(A)HEPTALEN-7-YL)ACETAMIDE;EINECS 207-513-0;COLCHICINE IMPURITY D [EP IMPURITY];Colchicoside 100 microg/mL in Acetonitrile;CHEBI:81415;DYD0I854K7;477-29-2;SCHEMBL13673737;1329-53-9;UXAFRQPVHYZDED-ZZEDUEFDSA-N;NCI60_002885;N-[(7S)-1,2,10-trimethoxy-9-oxo-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide;NSC624672;N-[3-(Hexopyranosyloxy)-1,2,10-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide;NSC32992;N-[1,2,10-trimethoxy-9-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide;N-[1,2,10-trimethoxy-9-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide;CHEMBL1994730;NS00004946;Benzo[a]heptalen-9(5H)-one,7-dihydro-2,3,10-trimethoxy-;CID 24721008;AKOS025311214;ALPHA-(AMINOMETHYL)-5-METHOXY-1H-INDOLE-3-ACETICACIDMETHYLESTERHYDROCHLORIDE;A923542;ACETAMIDE, N-((7S)-3-(BETA-D-GLUCOPYRANOSYLOXY)-5,6,7,9-TETRAHYDRO-1,2,10-TRIMETHOXY-9-OXOBENZO(A)HEPTALEN-7-YL)-;DTXCID001436642;Acetamide, N-(3-(beta-D-glucopyranosyloxy)-5,6,7,9-tetrahydro-1,2,10-trimethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-;N-((7S)-1,2,10-trimethoxy-9-oxo-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-6,7-dihydro-5H-benzo(a)heptalen-7-yl)acetamide;N-((7S)-3-(BETA-D-GLUCOPYRANOSYLOXY)-5,6,7,9-TETRAHYDRO-1,2,10-TRIMETHOXY-9-OXOBENZO(A)HEPTALEN-7-YL)ACETAMIDE;

标识符

MDL:
MFCD01736974
InChIKey:
UXAFRQPVHYZDED-ZZEDUEFDSA-N
Inchi:
1S/C27H33NO11/c1-12(30)28-16-7-5-13-9-19(38-27-24(34)23(33)22(32)20(11-29)39-27)25(36-3)26(37-4)21(13)14-6-8-18(35-2)17(31)10-15(14)16/h6,8-10,16,20,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)/t16-,20+,22+,23-,24+,27+/m0/s1
SMILES:
O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OC1C(=C(C2C3=CC=C(C(C=C3[C@H](CCC=2C=1)NC(C)=O)=O)OC)OC)OC

秋水仙碱杂质D(EP) 标准品(477-29-2)物化性质

实验特性

  • LogP : 0.43260
  • PSA : 173.24000
  • 折射率 : 1.6400 (estimate)
  • 沸点 : 620.17°C (rough estimate)
  • 熔点 : 194-197°C
  • 闪点 : 515.6°C
  • 密度 : 1.3430 (rough estimate)

计算特性

  • 精确分子量 : 547.20500
  • 氢键供体数量 : 5
  • 氢键受体数量 : 11
  • 可旋转化学键数量 : 7
  • 同位素质量 : 547.205
  • 重原子数量 : 39
  • 复杂度 : 1010
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 1
  • 不确定原子立构中心数量 : 5
  • 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) : _1.1
  • 拓扑分子极性表面积 : 173A^2

秋水仙碱杂质D(EP) 标准品(477-29-2)国际标准相关数据

EINECS:
207-513-0

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