Name: 16α-Hydroxytrametenolic acid
Rating: 5 (10 reviews)

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HIT ID:HIT212665119
Cas No:176390-68-4
常用名:16α-Hydroxytrametenolic acid
别名:16 alpha-Hydroxytrametenolic acid
IUPAC:(2R)-2-[(1R,2R,3aR,5aR,7S,9aS,11aR)-2,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid
IUPAC:(2R)-2-[(1R,2R,3aR,5aR,7S,9aS,11aR)-2,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid
InChI key:LPHOGVFYEBRXSC-WIUKAADNSA-N

分子式:C30H48O4
分子量:472.71
氢键供体数 (HBD):3
氢键受体数 (HBA):4
LogP:5.333633
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])C2([#6])[#6] |t:4|
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])C2([#6])[#6] |t:4|

16 alpha-Hydroxytrametenolic acid can inhibit 12-O-tetradecanoylphorbol 13-acetate (TAP)-induced mouse ear edema.

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