3482-38-0 (3,11-二酮呋喃甲酸,3,11-Diketofusidic Acid)

快速询单

结构式：

3,11-二酮呋喃甲酸MOL文件

CAS号：

3482-38-0

中文名称：

3,11-二酮呋喃甲酸

英文名称：

3,11-Diketofusidic Acid

分子式：

C₃₁H₄₄O₈

分子量：

544.676270484924

3,11-二酮呋喃甲酸(3482-38-0)名称与标识符

名称

中文别名：

夫西地酸 3,11-二酮杂质;

英文别名：

29-Nordammara-17(20),24-dien-21-oicacid, 16-(acetyloxy)-3,11-dioxo-, (4a,8a,9b,13a,14b,16b,17Z)- (9CI);3,11-Diketofusidic Acid;(2Z)-6-methyl-2-[(4S,8S,9R,10S,13R,14R,16S)-4,10,14-trimethyl-3,11-dioxo-16-propanoyloxy-1,2,4,5,6,7,8,9,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]hept-5-enoic acid;Fusidic Acid 3,11-Diketo Impurity;29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dioxo-, (4α,8α,9β,13α,14β,16β,17Z)- (9CI);11-Keto fuidic Acid;11-KetofuidicAcid;DTXSID801118979;CHEMBL4777516;(2Z)-2-[(4S,5S,8S,9S,10S,13R,14S,16S)-16-acetoxy-4,8,10,14-tetramethyl-3,11-dioxo-2,4,5,6,7,9,12,13,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoic acid;(2Z)-2-[(4S,5S,8S,9S,10S,13R,14S,16S)-16-acetyloxy-4,8,10,14-tetramethyl-3,11-dioxo-2,4,5,6,7,9,12,13,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid;(4alpha,8alpha,9beta,13alpha,14beta,16beta,17Z)-16-(Acetyloxy)-3,11-dioxo-29-nordammara-17(20),24-dien-21-oic acid;3-Ketofusidic acid;

标识符

InChIKey：

VPEQUHJEAVHCJW-UNOMWYTOSA-N

Inchi：

1S/C31H44O8/c1-16(2)9-8-10-19(25(33)34)24-21-13-30(35)26-27(5)15-23-31(38-30,39-37-23)17(3)20(27)11-12-28(26,6)29(21,7)14-22(24)36-18(4)32/h9,17,20-23,26,35H,8,10-15H2,1-7H3,(H,33,34)/b24-19+/t17-,20?,21+,22-,23?,26?,27-,28-,29-,30-,31-/m0/s1

SMILES：

C(O)(=O)/C(/CC/C=C(\C)/C)=C1\[C@@]2([H])C[C@@]3(O[C@]45[C@H](C6[C@](C)(CC4OO5)C3[C@]([C@]2(C[C@@H]\1OC(C)=O)C)(C)CC6)C)O