Name: Cimicifugoside H2
Rating: 5 (10 reviews)

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HIT ID:HIT214314486
Cas No:161097-77-4
常用名:Cimicifugoside H2
别名:升麻素苷H-2
IUPAC:(1S,3R,6S,8R,12R,15R,16R,18S)-15-[(2R,5R)-5,6-dihydroxy-6-methyl-4-oxoheptan-2-yl]-18-hydroxy-7,7,12,16-tetramethyl-6-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadec-10-en-14-one
IUPAC:(1S,3R,6S,8R,12R,15R,16R,18S)-15-[(2R,5R)-5,6-dihydroxy-6-methyl-4-oxoheptan-2-yl]-18-hydroxy-7,7,12,16-tetramethyl-6-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadec-10-en-14-one
InChI key:SUNYLGIAMKNXMN-GLWILYKISA-N

分子式:C35H54O10
分子量:634.807
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1([C@H](C)CC(=O)[C@H](O)C(C)(C)O)C(=O)C[C@@]2(C)C3=CC[C@]4([H])[C@]5(C[C@@]35[C@@H](O)C[C@]12C)CC[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C4(C)C |t:18|
SMILES:[H][C@]1([C@H](C)CC(=O)[C@H](O)C(C)(C)O)C(=O)C[C@@]2(C)C3=CC[C@]4([H])[C@]5(C[C@@]35[C@@H](O)C[C@]12C)CC[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C4(C)C |t:18|

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