Amarolide 11-acetate
HIT219228974
sdf文件结构编辑类似物检索
HIT ID: HIT219228974
Cas No: 29913-88-0
分子式: C22H30O7
分子量: 406.475
常用名: Amarolide 11-acetate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,2S,4S,6R,7S,9R,13S,14R,16S,17S)-4-hydroxy-2,6,14,17-tetramethyl-3,11,15-trioxo-10-oxatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadecan-16-yl acetate
IUPAC: (1S,2S,4S,6R,7S,9R,13S,14R,16S,17S)-4-hydroxy-2,6,14,17-tetramethyl-3,11,15-trioxo-10-oxatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadecan-16-yl acetate
SMILES: [H][C@]12C[C@@]3([H])[C@H](C)C[C@H](O)C(=O)[C@]3(C)[C@@]3([H])[C@H](OC(C)=O)C(=O)[C@H](C)[C@]([H])(CC(=O)O1)[C@]23C
SMILES: [H][C@]12C[C@@]3([H])[C@H](C)C[C@H](O)C(=O)[C@]3(C)[C@@]3([H])[C@H](OC(C)=O)C(=O)[C@H](C)[C@]([H])(CC(=O)O1)[C@]23C
InChI key: HTUPNZUADSZJNJ-WGRRCHGUSA-N
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