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名称

1-O-[(1S,2S,4S,7R,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-propanoyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] 5-O-tert-butyl (2R,3R)-3-(furan-2-yl)-2-hydroxypentanedioate, 微管蛋白抑制剂

分子类型

小分子

别名

1-O-[(1S,2S,4S,7R,9S,10S,12R,15S)-4-乙酰氧基-2-苯甲酰氧基-1,12-二羟基-10,14,17,17-四甲基-11-氧代-9-丙酰氧基-6-氧代四环[11.3.1.03,10.04,7]十七-13-烯-15-基] 5-O-叔丁基 (2R,3R)-3-(呋喃-2-基)-2-羟基戊二酸酯

英文别名

CHEMBL2107759

英文名称

货号

S671252-1mg

包装规格

1mg

分子式

C45H56O16

分子量

852.9 g/mol

PubChem编号

70687308

Isomeric SMILES

CCC(=O)O[C@H]1C[C@@H]2[C@@](CO2)(C3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)C5=CC=CC=C5)(C4(C)C)O)OC(=O)[C@@H]([C@@H](CC(=O)OC(C)(C)C)C6=CC=CO6)O)C)O)C)OC(=O)C

IIUPAC Name

INCHI

1S/C45H56O16/c1-10-31(47)58-29-20-30-44(22-56-30,60-24(3)46)36-38(59-39(52)25-15-12-11-13-16-25)45(54)21-28(23(2)33(42(45,7)8)35(50)37(51)43(29,36)9)57-40(53)34(49)26(27-17-14-18-55-27)19-32(48)61-41(4,5)6/h11-18,26,28-30,34-36,38,49-50,54H,10,19-22

InChi Key

GJQWFXNJAXOCBV-XVGNUGADSA-N

Smiles

CCC(=O)OC1CC2C(CO2)(C3C1(C(=O)C(C4=C(C(CC(C3OC(=O)C5=CC=CC=C5)(C4(C)C)O)OC(=O)C(C(CC(=O)OC(C)(C)C)C6=CC=CO6)O)C)O)C)OC(=O)C

PubChem CID

70687308

ALogP

3.3

作用类型

抑制剂

作用机制

微管蛋白抑制剂

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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