Rohitukin
HIT214318100
sdf文件结构编辑类似物检索
HIT ID: HIT214318100
Cas No: 62653-92-3
分子式: C34H42O13
分子量: 658.697
常用名: Rohitukin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3S,3aR,4R,5R,6R,7aS)-6-[(4S,5R,5aR,9aS)-4-(acetyloxy)-5,9a-dimethyl-2,7-dioxo-octahydro-2H-pyrano[3,4-b]oxepin-5-yl]-5-(formyloxy)-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-octahydro-1H-inden-4-yl 3-methylbutanoate
IUPAC: (3S,3aR,4R,5R,6R,7aS)-6-[(4S,5R,5aR,9aS)-4-(acetyloxy)-5,9a-dimethyl-2,7-dioxo-octahydro-2H-pyrano[3,4-b]oxepin-5-yl]-5-(formyloxy)-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-octahydro-1H-inden-4-yl 3-methylbutanoate
SMILES: [H][C@]12CC(=O)OC[C@@]1(C)OC(=O)C[C@H](OC(C)=O)[C@]2(C)[C@@]1([H])[C@@H](OC=O)[C@H](OC(=O)CC(C)C)[C@@]2(C)[C@@H](CC(=O)[C@]2(O)C1=C)c1ccoc1
SMILES: [H][C@]12CC(=O)OC[C@@]1(C)OC(=O)C[C@H](OC(C)=O)[C@]2(C)[C@@]1([H])[C@@H](OC=O)[C@H](OC(=O)CC(C)C)[C@@]2(C)[C@@H](CC(=O)[C@]2(O)C1=C)c1ccoc1
InChI key: BGIQNWKPRGQOMD-UVCADLPSSA-N
共显示1个结果
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