Lushanrubescensin E
HIT212697327
sdf文件结构编辑类似物检索
HIT ID: HIT212697327
Cas No: 114020-54-1
分子式: C24H34O7
分子量: 434.529
常用名: Lushanrubescensin E
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 1.4197958
IUPAC: (1S,3S,4S,6R,7S,9S,10S,11R,13S)-6-(acetyloxy)-7,11-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan-3-yl acetate
IUPAC: (1S,3S,4S,6R,7S,9S,10S,11R,13S)-6-(acetyloxy)-7,11-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan-3-yl acetate
SMILES: [H][C@@]12[C@H](O)C[C@@H]3C[C@@]1(C[C@H](OC(C)=O)[C@]1([H])C(C)(C)[C@@H](OC(C)=O)[C@@H](O)C[C@@]21C)C(=O)C3=C
SMILES: [H][C@@]12[C@H](O)C[C@@H]3C[C@@]1(C[C@H](OC(C)=O)[C@]1([H])C(C)(C)[C@@H](OC(C)=O)[C@@H](O)C[C@@]21C)C(=O)C3=C
InChI key: DPMXYKRVODVBJD-HJLYLSSASA-N
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