Name: 26-Deoxycimicifugoside
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214314459
Cas No:214146-75-5
常用名:26-Deoxycimicifugoside
别名:26-脱氧升麻苷
IUPAC:(1R,1'S,2S,3'R,4'R,5R,5'R,6'R,10'S,12'S,16'R,18'S,21'R)-4',5,6',12',17',17'-hexamethyl-18'-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,6,9'-trioxaspiro[bicyclo[3.1.0]hexane-2,8'-hexacyclo[11.9.0.0^{1,21}.0^{4,12}.0^{5,10}.0^{16,21}]docosan]-13'-en-3'-yl acetate
IUPAC:(1R,1'S,2S,3'R,4'R,5R,5'R,6'R,10'S,12'S,16'R,18'S,21'R)-4',5,6',12',17',17'-hexamethyl-18'-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,6,9'-trioxaspiro[bicyclo[3.1.0]hexane-2,8'-hexacyclo[11.9.0.0^{1,21}.0^{4,12}.0^{5,10}.0^{16,21}]docosan]-13'-en-3'-yl acetate
InChI key:PBKJAWKRZRAQQO-YTGDHQJGSA-N

分子式:C37H54O10
分子量:658.829
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12O[C@]1(C)CO[C@]21C[C@@H](C)[C@@]2([H])[C@]([H])(C[C@@]3(C)C4=CC[C@]5([H])[C@]6(C[C@@]46C[C@@H](OC(C)=O)[C@]23C)CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C5(C)C)O1 |t:20|
SMILES:[H][C@@]12O[C@]1(C)CO[C@]21C[C@@H](C)[C@@]2([H])[C@]([H])(C[C@@]3(C)C4=CC[C@]5([H])[C@]6(C[C@@]46C[C@@H](OC(C)=O)[C@]23C)CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C5(C)C)O1 |t:20|

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