Salvinorin A
HIT212709269
sdf文件结构编辑类似物检索
HIT ID: HIT212709269
Cas No: 83729-01-5
分子式: C23H28O8
分子量: 432.469
常用名: Salvinorin A
氢键受体数 (HBA): 4
氢键供体数 (HBD): 0
LogP: 2.3890138
IUPAC: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1H-naphtho[2,1-c]pyran-7-carboxylate
IUPAC: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1H-naphtho[2,1-c]pyran-7-carboxylate
SMILES: COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
SMILES: COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
InChI key: OBSYBRPAKCASQB-AGQYDFLVSA-N
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