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

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结构编辑

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HIT ID:HIT212732801
Cas No:89913-60-0
常用名:3-O-Acetyl-α-boswellic acid
别名:乙酰基-ALPHA-乳香酸, α-Boswellic acid acetate, 3-O-Acetyl-alpha-boswellic acid
别名:乙酰基-ALPHA-乳香酸, α-Boswellic acid acetate, 3-O-Acetyl-alpha-boswellic acid
IUPAC:(3R,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-3-(acetyloxy)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid
IUPAC:(3R,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-3-(acetyloxy)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid
InChI key:IAWGZKRQDHPFCZ-OBHGTAHRSA-N

分子式:C32H50O4
分子量:498.748
氢键供体数 (HBD):1
氢键受体数 (HBA):3
LogP:7.035959
SMILES:CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)[C@@]1(C)C(O)=O |t:17|
SMILES:CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)[C@@]1(C)C(O)=O |t:17|

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