Name: Dehydroeburicoic acid monoacetate
Rating: 5 (10 reviews)

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HIT ID:HIT212667039
Cas No:77035-42-8
常用名:Dehydroeburicoic acid monoacetate
常用名:Dehydroeburicoic acid monoacetate
别名:去氢齿孔酸乙酰酯, 3-O-Acetyldehydroeburicoic acid
别名:去氢齿孔酸乙酰酯, 3-O-Acetyldehydroeburicoic acid
IUPAC:(2R)-2-[(1R,3aR,5aR,7S,9aS,11aR)-7-(acetyloxy)-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-methyl-5-methylideneheptanoic acid
IUPAC:(2R)-2-[(1R,3aR,5aR,7S,9aS,11aR)-7-(acetyloxy)-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-methyl-5-methylideneheptanoic acid
InChI key:AYHCPTDPDUADTK-DLCVLMBDSA-N

分子式:C33H50O4
分子量:510.759
氢键供体数 (HBD):1
氢键受体数 (HBA):3
LogP:7.0665545
SMILES:[H][C@@]1(CC[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]12C)OC(C)=O)[C@@H](CCC(=C)C(C)C)C(O)=O |c:21,t:6|
SMILES:[H][C@@]1(CC[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]12C)OC(C)=O)[C@@H](CCC(=C)C(C)C)C(O)=O |c:21,t:6|

Dehydroeburicoic acid monoacetate (3-O-Acetyldehydroeburicoic acid) 是一种羊毛脂烷型三萜类化合物，来源于茯苓。

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