Name: Vobtusine
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217607899
Cas No:19772-79-3
常用名:Vobtusine
别名:Vobtusin, NSC 180540
IUPAC:methyl (1R,1'R,7S,11R,12'R,13R,15S,16'S,22'R,24R,25S)-24-hydroxy-19-methoxy-8,15'-dioxa-4,8',17,19'-tetraazaspiro[heptacyclo[11.10.1.1^{1,4}.0^{7,11}.0^{17,24}.0^{18,23}.0^{11,25}]pentacosane-15,17'-hexacyclo[10.9.1.0^{1,9}.0^{2,7}.0^{12,16}.0^{19,22}]docosane]-2'(7'),3',5',9',18(23),19,21-heptaene-10'-carboxylate
IUPAC:methyl (1R,1'R,7S,11R,12'R,13R,15S,16'S,22'R,24R,25S)-24-hydroxy-19-methoxy-8,15'-dioxa-4,8',17,19'-tetraazaspiro[heptacyclo[11.10.1.1^{1,4}.0^{7,11}.0^{17,24}.0^{18,23}.0^{11,25}]pentacosane-15,17'-hexacyclo[10.9.1.0^{1,9}.0^{2,7}.0^{12,16}.0^{19,22}]docosane]-2'(7'),3',5',9',18(23),19,21-heptaene-10'-carboxylate
InChI key:IIMPGJMHQMBXKL-OPDPKHDKSA-N

分子式:C43H50N4O6
分子量:718.895
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COC(=O)C1=C2Nc3ccccc3[C@@]22CCN3C[C@]4(C[C@@H]5C[C@]67CCO[C@H]6CCN6CC[C@]8([C@H]76)c6cccc(OC)c6N(C4)[C@@]58O)[C@@H]4OCC[C@]4(C1)[C@@H]23
SMILES:COC(=O)C1=C2Nc3ccccc3[C@@]22CCN3C[C@]4(C[C@@H]5C[C@]67CCO[C@H]6CCN6CC[C@]8([C@H]76)c6cccc(OC)c6N(C4)[C@@]58O)[C@@H]4OCC[C@]4(C1)[C@@H]23

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