3-O-Acetyl-16α-hydroxydehydrotrametenolic acid | CAS 168293-14-9 | AnyMole

待询

HIT212661045

sdf 文件

结构编辑

类似物检索

HIT212661045

HIT ID:HIT212661045
Cas No:168293-14-9
常用名:3-O-Acetyl-16α-hydroxydehydrotrametenolic acid
常用名:3-O-Acetyl-16α-hydroxydehydrotrametenolic acid
IUPAC:(2R)-2-[(1R,2R,3aR,5aR,7S,9aS,11aR)-7-(acetyloxy)-2-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid
IUPAC:(2R)-2-[(1R,2R,3aR,5aR,7S,9aS,11aR)-7-(acetyloxy)-2-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid
InChI key:DLBLMTCYISHWGP-KOCSMGCBSA-N

分子式:C32H48O5
分子量:512.731
氢键供体数 (HBD):2
氢键受体数 (HBA):4
LogP:5.412837
SMILES:[H][C@@]12[#6]-[#6]=[#6]3-[#6](=[#6]-[#6][C@]4([#6])[#6@@H](-[#6@@H](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](-[#8])=O)-[#6@H](-[#8])-[#6][C@@]34[#6])[C@@]1([#6])[#6]-[#6]-[#6@H](-[#8]-[#6](-[#6])=O)C2([#6])[#6] |c:3,5|
SMILES:[H][C@@]12[#6]-[#6]=[#6]3-[#6](=[#6]-[#6][C@]4([#6])[#6@@H](-[#6@@H](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](-[#8])=O)-[#6@H](-[#8])-[#6][C@@]34[#6])[C@@]1([#6])[#6]-[#6]-[#6@H](-[#8]-[#6](-[#6])=O)C2([#6])[#6] |c:3,5|

市场产品/服务共显示0个结果

需要询价?

寻找合适的化合物库

您无法确定哪种化合物库最适合您的项目？或者您需要定制解决方案？Anymole随时为您提供帮助。

电话：400820-0310

合作：info@screeningcompound.com

技术支持：tech@screeningcompound.com

客服：service@screeningcompound.com

TargetMol | Target Loading

正在加载 ~