科华智慧（深圳）创新药物研发有限公司-天然产物化合物库-创新药物研发-波谱智能解析-化合物冷冻电镜结构解析

天然产物数据库

您可快速检索70万⁺天然产物信息

检索最多: 白僵菌素大品种冬虫夏草人参三七党参大戟决明半夏丁香

CAS No.	英文名/中文名/SMILES	分子式	分子量
882880-12-8	1,4-Bis[3,4-dihydro-2(1H)-quinolinon-7-oxy]butane 阿立哌唑杂质D C1CC(=O)NC2=C1C=CC(=C2)OCCCCOC3=CC4=C(CCC(=O)N4)C=C3	C₂₂H₂₄N₂O₄	380.4
573691-13-1	Aripiprazole N,N-Dioxide 阿立哌唑，1,4-二氮氧化物 C1CC(=O)NC2=C1C=CC(=C2)OCCCC[N+]3(CC[N+](CC3)(C4=C(C(=CC=C4)Cl)Cl)[O-])[O-]	C₂₃H₂₇Cl₂N₃O₄	480.4
163217-70-7	P-Hydroxyatorvastatin lactone P-羟基阿伐他汀内酯 CC(C)C1=C(C(=C(N1CCC2CC(CC(=O)O2)O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)O	C₃₃H₃₃FN₂O₅	556.6
1146977-93-6	Atorvastatin Ethyl Ester Atorvastatin Ethyl Ester CCOC(=O)CC(CC(CCN1C(=C(C(=C1C(C)C)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)F)O)O	C₃₅H₃₉FN₂O₅	586.7
344423-98-9	Atorvastatin calcium trihydrate 阿托伐他汀钙水合物 CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.O.O.O.[Ca+2]	C₆₆H₇₄CAF₂N₄O₁₃	1209.4
693793-53-2	Calcium (3R,5R)-7-(2,3-bis(4-fluorophenyl)-5-isopropyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate 阿托伐他汀钙杂质III CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4.[Ca+2]	C₆₆H₆₆CAF₄N₄O₁₀	1191.3
1371615-56-3	sodium;(3R,5R)-7-[[(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoyl]amino]-3,5-dihydroxyheptanoate 阿托伐他汀杂质 CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)NCCC(CC(CC(=O)[O-])O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Na+]	C₄₀H₄₇FN₃NAO₈	739.8
887196-29-4	O-Methyl Atorvastatin Calcium Salt O-甲基阿托伐他汀钙盐 CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])OC)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])OC)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Ca+2]	C₆₈H₇₂CAF₂N₄O₁₀	1183.4
873950-19-7	Atorvastatin Epoxy Tetrahydrofuran Impurity Atorvastatin Epoxy Tetrahydrofuran Impurity CC(C)C1(C2(C(O2)(C(O1)(C3=CC=C(C=C3)F)O)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5)O	C₂₆H₂₄FNO₅	449.5
307974-61-4	Azithromycin B 阿奇霉素B CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)C	C₃₈H₇₂N₂O₁₁	733.0