Name: 3-O-Acetyl-16α-hydroxytrametenolic acid
Rating: 5 (10 reviews)

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HIT ID:HIT212661187
Cas No:168293-13-8
常用名:3-O-Acetyl-16α-hydroxytrametenolic acid
常用名:3-O-Acetyl-16α-hydroxytrametenolic acid
别名:3-O-乙酰基-16Α-羟基-氢化松苓酸, 3-O-Acetyl-16 alpha-hydroxytrametenolic acid
别名:3-O-乙酰基-16Α-羟基-氢化松苓酸, 3-O-Acetyl-16 alpha-hydroxytrametenolic 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,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)-7-(acetyloxy)-2-hydroxy-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:SRDNLMOBFKJOSD-KOCSMGCBSA-N

分子式:C32H50O5
分子量:514.747
氢键供体数 (HBD):2
氢键受体数 (HBA):4
LogP:5.7747583
SMILES:[H][C@]1([#6@@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O)[#6@H](-[#8])-[#6][C@@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6@H](-[#8]-[#6](-[#6])=O)C([#6])([#6])[C@]1([H])[#6]-[#6]-3 |c:17|
SMILES:[H][C@]1([#6@@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O)[#6@H](-[#8])-[#6][C@@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6@H](-[#8]-[#6](-[#6])=O)C([#6])([#6])[C@]1([H])[#6]-[#6]-3 |c:17|

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