Name: Rhapontisterone
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212687577
Cas No:137476-71-2
常用名:Rhapontisterone
IUPAC:(1S,3aS,5aR,7R,8S,9aR,9bR,10R,11aR)-3a,7,8,10-tetrahydroxy-9a,11a-dimethyl-1-[(2R,3R,5S)-2,3,5-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
IUPAC:(1S,3aS,5aR,7R,8S,9aR,9bR,10R,11aR)-3a,7,8,10-tetrahydroxy-9a,11a-dimethyl-1-[(2R,3R,5S)-2,3,5-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
InChI key:PJHYXCVCRWJEMV-XYFSXPBDSA-N

分子式:C27H44O8
分子量:496.641
氢键供体数 (HBD):7
氢键受体数 (HBA):8
LogP:-0.6093467
SMILES:[H][C@@]12C[C@@H](O)[C@@H](O)C[C@]1(C)[C@@]1([H])[C@H](O)C[C@]3(C)[C@H](CC[C@@]3(O)C1=CC2=O)[C@@](C)(O)[C@H](O)C[C@H](O)C(C)C |c:25|
SMILES:[H][C@@]12C[C@@H](O)[C@@H](O)C[C@]1(C)[C@@]1([H])[C@H](O)C[C@]3(C)[C@H](CC[C@@]3(O)C1=CC2=O)[C@@](C)(O)[C@H](O)C[C@H](O)C(C)C |c:25|

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