Name: Acantrifoic acid A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315679
Cas No:654663-85-1
常用名:Acantrifoic acid A
IUPAC:(1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bS)-9-(acetyloxy)-1-(3-hydroxyprop-1-en-2-yl)-5a,5b,8,11a-tetramethyl-icosahydro-1H-cyclopenta[a]chrysene-3a,8-dicarboxylic acid
IUPAC:(1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bS)-9-(acetyloxy)-1-(3-hydroxyprop-1-en-2-yl)-5a,5b,8,11a-tetramethyl-icosahydro-1H-cyclopenta[a]chrysene-3a,8-dicarboxylic acid
InChI key:LIKVRUAPPXCRHS-ZESURFQCSA-N

分子式:C32H48O7
分子量:544.729
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(C)=O)[C@@](C)(C(O)=O)[C@]3([H])CC[C@@]12C)C(O)=O)C(=C)CO
SMILES:[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(C)=O)[C@@](C)(C(O)=O)[C@]3([H])CC[C@@]12C)C(O)=O)C(=C)CO

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