Name: 14-Dehydrodelcosine
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317163
Cas No:1361-18-8
常用名:14-Dehydrodelcosine
别名:14-脱氢翠雀胺
IUPAC:(2R,3S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9,16-trihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-one
IUPAC:(2R,3S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9,16-trihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-one
InChI key:ZXVJFGOQJRGEPX-VXNQNHKASA-N

分子式:C24H37NO7
分子量:451.56
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@]3([H])[C@]([H])(C1=O)[C@](O)(C[C@@H]2OC)[C@@]1(O)[C@@H](OC)[C@@]2([H])C33[C@@H](O)CC[C@@]2(COC)CN(CC)[C@]13[H] |TLB:33:32:22:15.17,9:15:22:27.31.32,3:22:27.31.32:15.17,2:3:35:20.17,7:5:35:20.17,THB:23:22:27.31.32:15.17,28:27:22:15.17,32:35:20.17:9.5.3,16:15:22:27.31.32,17:20:31.32.35:23.26.25,18:17:22:27.31.32,18:17:35:9.5.3,10:9:35:20.17,11:9:35:20.17,26:27:22:15.17|
SMILES:[H][C@]12C[C@]3([H])[C@]([H])(C1=O)[C@](O)(C[C@@H]2OC)[C@@]1(O)[C@@H](OC)[C@@]2([H])C33[C@@H](O)CC[C@@]2(COC)CN(CC)[C@]13[H] |TLB:33:32:22:15.17,9:15:22:27.31.32,3:22:27.31.32:15.17,2:3:35:20.17,7:5:35:20.17,THB:23:22:27.31.32:15.17,28:27:22:15.17,32:35:20.17:9.5.3,16:15:22:27.31.32,17:20:31.32.35:23.26.25,18:17:22:27.31.32,18:17:35:9.5.3,10:9:35:20.17,11:9:35:20.17,26:27:22:15.17|

14-Dehydrodelcosine是一种天然产物，属于毛茛科翠雀属，其产品编号为 TN6074，CAS号为 1361-18-8。14-Dehydrodelcosine可用作对照参考。

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