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

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HIT ID:HIT212665048
Cas No:176390-66-2
常用名:16α-Hydroxydehydrotrametenolic acid
常用名:16α-Hydroxydehydrotrametenolic acid
别名:3β,16α-Dihydroxylanosta-7,9(11),24-trien-21-oic acid, 16α-羟基松苓新酸, 16alpha-Hydroxydehydrotrametenolic acid
别名:3β,16α-Dihydroxylanosta-7,9(11),24-trien-21-oic acid, 16α-羟基松苓新酸, 16alpha-Hydroxydehydrotrametenolic acid
IUPAC:(2R)-2-[(1R,2R,3aR,5aR,7S,9aS,11aR)-2,7-dihydroxy-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)-2,7-dihydroxy-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:XSLKAKROJKMHIT-WIUKAADNSA-N

分子式:C30H46O4
分子量:470.694
氢键供体数 (HBD):3
氢键受体数 (HBA):4
LogP:4.9717116
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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] |c:3,5|

16α-Hydroxydehydrotrametenolic acid (16alpha-Hydroxydehydrotrametenolic acid) 是从茯苓中发现的三萜酸，与利尿作用有关，可用于研究乳腺癌。

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