Name: 28-O-β-D-Glucopyranosyl pomolic acid
Rating: 5 (10 reviews)

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HIT ID:HIT212665823
Cas No:83725-24-0
常用名:28-O-β-D-Glucopyranosyl pomolic acid
常用名:28-O-β-D-Glucopyranosyl pomolic acid
别名:Pomolic acid 28-O-beta-D-glucopyranosyl ester, 28-O-BETA-D-吡喃葡萄糖果树酸酯
别名:Pomolic acid 28-O-beta-D-glucopyranosyl ester, 28-O-BETA-D-吡喃葡萄糖果树酸酯
IUPAC:(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
IUPAC:(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
InChI key:RRIMLWHUVCZACL-HPUCWRFUSA-N

分子式:C36H58O9
分子量:634.851
氢键供体数 (HBD):6
氢键受体数 (HBA):8
LogP:3.0764837
SMILES:[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@](C)(O)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]1(C)CC[C@H](O)C2(C)C |t:9|
SMILES:[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@](C)(O)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]1(C)CC[C@H](O)C2(C)C |t:9|

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