Name: Paniculoside III
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214312049
Cas No:60129-65-9
常用名:Paniculoside III
IUPAC:(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,4S,5R,9R,10S,11S,13S)-11-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylate
IUPAC:(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,4S,5R,9R,10S,11S,13S)-11-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylate
InChI key:JSKLOHJUYDOADP-DQGZFUNPSA-N

分子式:C26H38O9
分子量:494.581
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](C[C@H](O)[C@@H]21)C(=C)C3=O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
SMILES:C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](C[C@H](O)[C@@H]21)C(=C)C3=O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Paniculoside III is a natural product from the metabolites of the algicolous fungus Stevia paniculata.

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