Name: 17α-Deacetyltanghinin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214492453
Cas No:111614-46-1
常用名:17α-Deacetyltanghinin
IUPAC:4-[(1R,3S,5S,7S,10S,11R,14R,15S,18R)-7-{[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-18-hydroxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.0^{1,3}.0^{5,10}.0^{14,18}]octadecan-15-yl]-2,5-dihydrofuran-2-one
IUPAC:4-[(1R,3S,5S,7S,10S,11R,14R,15S,18R)-7-{[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-18-hydroxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.0^{1,3}.0^{5,10}.0^{14,18}]octadecan-15-yl]-2,5-dihydrofuran-2-one
InChI key:LVGNJQMAMYJAIL-SDRANUSUSA-N

分子式:C30H44O9
分子量:548.673
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@]3([H])C[C@H](CC[C@]3(C)[C@@]3([H])CC[C@]4(C)[C@@H](CC[C@]4(O)[C@]13O2)C1=CC(=O)OC1)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](OC)[C@@H]1O
SMILES:[H][C@]12C[C@]3([H])C[C@H](CC[C@]3(C)[C@@]3([H])CC[C@]4(C)[C@@H](CC[C@]4(O)[C@]13O2)C1=CC(=O)OC1)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](OC)[C@@H]1O

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