125206-31-7 (O-去吗啉丙基吉非替尼,6-Carboxy ?-5’,4’,5,6-Simvastatin)

快速询单

结构式：

O-去吗啉丙基吉非替尼MOL文件

CAS号：

125206-31-7

中文名称：

O-去吗啉丙基吉非替尼

英文名称：

6-Carboxy ?-5’,4’,5,6-Simvastatin

分子式：

C₂₅H₃₆O₇

分子量：

448.54914855957

O-去吗啉丙基吉非替尼(125206-31-7)名称与标识符

名称

中文别名：

(4aR,5S,6S)-4-[(2,2-二甲基丁酰基)氧基]-5-{2-[(2R,4R)-4-羟基-6-氧代四氢-2H-吡喃-2-基]乙基}-6-甲基-2,3,4,4A,5,6-六氢-2-萘甲酸;O-去吗啉丙基吉非替尼;

英文别名：

2-Naphthalenecarboxylicacid,4-(2,2-dimethyl-1-oxobutoxy)-3,4,4a,5,6,7-hexahydro-6-methyl-5-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-,[4S-[4a,4ab,5b(2S*,4S*),6b]]-(9CI);6Carboxy Simvastatin;6-Carboxy ?-5’,4’,5,6-Simvastatin;6’-Carboxy Simvastatin;6-Carboxy ∆-5’,4’,5,6-Simvastatin;[4S-[4a,4a,5(2S*,4S*),6]]-4(2,2-Dimethyl-1-oxobutoxy)-3,4,4a,5,6,7-hexahydro-6-methyl-5-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-2-naphthalenecarboxylic Acid;[4S-[4a,4ab,5b(2S*,4S*),6b]]-4(2,2-Dimethyl-1-oxobutoxy)-3,4,4a,5,6,7-hexahydro-6-methyl-5-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-2-naphthalenecarboxylic Acid;6-Carboxy -5',4',5,6-SiMvastatin;([4S-[4 ,4a ,5 (2S*,4S*),6 ]]-4(2,2-Dimethyl-1-oxobutoxy)-3,4,4a,5,6,7-hexahydro-6-methyl-5-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-2-naphthalenecarboxylic Acid);

标识符

InChIKey：

CGKWQIRKHPKYEV-BPTCXLADSA-N

Inchi：

1S/C25H36O7/c1-5-25(3,4)24(30)32-20-11-16(23(28)29)10-15-7-6-14(2)19(22(15)20)9-8-18-12-17(26)13-21(27)31-18/h7,10,14,17-20,22,26H,5-6,8-9,11-13H2,1-4H3,(H,28,29)/t14-,17+,18+,19-,20-,22-/m0/s1

SMILES：

O(C(C(C)(C)CC)=O)[C@H]1CC(C(=O)O)=CC2=CC[C@H](C)[C@H](CC[C@@H]3C[C@H](CC(=O)O3)O)[C@@H]12