Netzahualcoyondiol
HIT214319982
sdf文件结构编辑类似物检索
HIT ID: HIT214319982
Cas No: 113579-08-1
分子式: C30H38O6
分子量: 494.628
常用名: Netzahualcoyondiol
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: methyl (2S,3R,4S,4aR,12bS,14aS,14bS)-3,4,10-trihydroxy-2,4a,6,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,11,12b,13,14,14a,14b-dodecahydropicene-2-carboxylate
IUPAC: methyl (2S,3R,4S,4aR,12bS,14aS,14bS)-3,4,10-trihydroxy-2,4a,6,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,11,12b,13,14,14a,14b-dodecahydropicene-2-carboxylate
SMILES: [H][C@@]12C[C@@](C)([C@@H](O)[C@@H](O)[C@]1(C)CC(C)=C1C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OC |c:26,t:14,16,18,21|
SMILES: [H][C@@]12C[C@@](C)([C@@H](O)[C@@H](O)[C@]1(C)CC(C)=C1C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OC |c:26,t:14,16,18,21|
InChI key: APGPWXZLGUDEGW-BTAXULIISA-N
共显示1个结果
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