Name: Raucaffricine
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214316145
Cas No:31282-07-2
常用名:Raucaffricine
IUPAC:(1R,10S,12R,13E,14R,16S,17S,18R)-13-ethylidene-14-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,15-diazahexacyclo[14.2.1.0^{1,9}.0^{2,7}.0^{10,15}.0^{12,17}]nonadeca-2(7),3,5,8-tetraen-18-yl acetate
IUPAC:(1R,10S,12R,13E,14R,16S,17S,18R)-13-ethylidene-14-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,15-diazahexacyclo[14.2.1.0^{1,9}.0^{2,7}.0^{10,15}.0^{12,17}]nonadeca-2(7),3,5,8-tetraen-18-yl acetate
InChI key:OSJPGOJPRNTSHP-RACSMSOZSA-N

分子式:C27H32N2O8
分子量:512.559
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12[C@@H]3C[C@]4([C@@H]1OC(C)=O)C(=Nc1ccccc41)[C@@H]1C[C@H]2\C(=C/C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)N31 |c:11,TLB:5:1:18.19:21.24,10:18:2.1:21.24,3:2:18.19:21.24,25:24:2.1:18.19,THB:19:18:3:5.1,24:37:3:5.1|
SMILES:[H][C@]12[C@@H]3C[C@]4([C@@H]1OC(C)=O)C(=Nc1ccccc41)[C@@H]1C[C@H]2\C(=C/C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)N31 |c:11,TLB:5:1:18.19:21.24,10:18:2.1:21.24,3:2:18.19:21.24,25:24:2.1:18.19,THB:19:18:3:5.1,24:37:3:5.1|

Raucaffricine是一种天然产物，属于夹竹桃科萝芙木属，其产品编号为 TN4894，CAS号为 31282-07-2。Raucaffricine可用作对照参考。

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