12-O-Acetylrosmarinine
HIT214312832
sdf文件结构编辑类似物检索
HIT ID: HIT214312832
Cas No: 137760-53-3
分子式: C20H29NO7
分子量: 395.452
常用名: 12-O-Acetylrosmarinine
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,4Z,6R,7R,11S,12S,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.0^{14,17}]heptadecan-12-yl acetate
IUPAC: (1R,4Z,6R,7R,11S,12S,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.0^{14,17}]heptadecan-12-yl acetate
SMILES: C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2[C@@H](CN3CC[C@@H](OC1=O)[C@@H]23)OC(C)=O
SMILES: C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2[C@@H](CN3CC[C@@H](OC1=O)[C@@H]23)OC(C)=O
InChI key: FUOIHFZKSQBMKK-XRKWPLKMSA-N
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