152154-28-4 ((b-D-Glucopyranosiduronic acid, (11b,16a)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl)

快速询单

结构式：

b-D-Glucopyranosiduronic acid, (11b,16a)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-ylMOL文件

CAS号：

152154-28-4

英文名称：

b-D-Glucopyranosiduronic acid, (11b,16a)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl

分子式：

C₂₈H₃₇FO₁₁

分子量：

568.585193395615

b-D-Glucopyranosiduronic acid, (11b,16a)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl(152154-28-4)名称与标识符

名称

英文别名：

b-D-Glucopyranosiduronic acid, (11b,16a)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl;b-D-Glucopyranosiduronic acid, (11b,16a)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1...;Dexamethasone β-D-Glucuronide;(11,16a)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl -D-Glucopyranosiduronic Acid;(11b,16a)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl b-D-Glucopyranosiduronic Acid;(8xi,9xi,11beta,14xi,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl beta-D-glucopyranosiduronic acid;Dexamethasone -D-Glucuronide;Dexamethasone b-D-Glucuronide;Dexamethasone 2-D-Glucuronide;Dexamethasone .beta.-D-Glucuronide;

标识符

InChIKey：

UBHXMSIBGRGDSX-VFGCUDCLSA-N

Inchi：

1S/C28H37FO11/c1-12-8-16-15-5-4-13-9-14(30)6-7-25(13,2)27(15,29)17(31)10-26(16,3)28(12,38)18(32)11-39-24-21(35)19(33)20(34)22(40-24)23(36)37/h6-7,9,12,15-17,19-22,24,31,33-35,38H,4-5,8,10-11H2,1-3H3,(H,36,37)/t12-,15+,16+,17+,19+,20+,21-,22+,24-,25+,26+,27+,28+/m1/s1

SMILES：

F[C@@]12[C@]3(C=CC(C=C3CC[C@H]1[C@@H]1C[C@@H](C)[C@](C(CO[C@H]3[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O3)O)O)O)=O)([C@@]1(C)C[C@@H]2O)O)=O)C

b-D-Glucopyranosiduronic acid, (11b,16a)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl(152154-28-4)物化性质

实验特性

LogP : -0.18780
PSA : 191.05000

计算特性

精确分子量 : 568.23200
氢键供体数量 : 6
氢键受体数量 : 11
可旋转化学键数量 : 5
重原子数量 : 40

b-D-Glucopyranosiduronic acid, (11b,16a)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl(152154-28-4)相关文献

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