Name: Reserpinine (Raubasinine, Pubescine)
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT103447886
Cas No:36063-55-5
常用名:Reserpinine (Raubasinine, Pubescine)
常用名:Reserpinine (Raubasinine, Pubescine)
IUPAC:methyl (1S,15S,16S,20S)-6-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
IUPAC:methyl (1S,15S,16S,20S)-6-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
InChI key:KXEMQEGRZWUKJS-RURTYGRKSA-N

分子式:C22H26N2O4
分子量:382.46
氢键供体数 (HBD):1
氢键受体数 (HBA):6
LogP:3.028
SMILES:COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12 |t:4|
SMILES:COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12 |t:4|

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