Name: Spiramine A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317128
Cas No:114531-28-1
常用名:Spiramine A
IUPAC:(1R,2R,3S,7R,8R,12R,13S,18S,21R)-12-methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.2^{2,5}.0^{2,7}.0^{8,18}.0^{8,21}.0^{13,17}]tricosan-3-yl acetate
IUPAC:(1R,2R,3S,7R,8R,12R,13S,18S,21R)-12-methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.2^{2,5}.0^{2,7}.0^{8,18}.0^{8,21}.0^{13,17}]tricosan-3-yl acetate
InChI key:ZPELMDXCJZDIBP-NCANIYPBSA-N

分子式:C24H33NO4
分子量:399.531
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12OCCN1[C@@]1([H])O[C@]3([H])C[C@]4([H])[C@@]2(C)CCC[C@]14[C@]1([H])CC2([H])CC[C@]31[C@@H](OC(C)=O)C2=C |TLB:20:19:9.11.8:14.5.1,5:6:20.27:12.11,2:1:19:9.11.8,4:5:19:9.11.8,28:27:12.11:8.6,26:27:12.11:8.6,THB:15:14:19:9.11.8,27:9:19:14.5.1,22:20:12.11:8.6,18:19:9.11.8:14.5.1,16:14:19:9.11.8|
SMILES:[H][C@@]12OCCN1[C@@]1([H])O[C@]3([H])C[C@]4([H])[C@@]2(C)CCC[C@]14[C@]1([H])CC2([H])CC[C@]31[C@@H](OC(C)=O)C2=C |TLB:20:19:9.11.8:14.5.1,5:6:20.27:12.11,2:1:19:9.11.8,4:5:19:9.11.8,28:27:12.11:8.6,26:27:12.11:8.6,THB:15:14:19:9.11.8,27:9:19:14.5.1,22:20:12.11:8.6,18:19:9.11.8:14.5.1,16:14:19:9.11.8|

Spiramine A是一种天然产物，属于蔷薇科绣线菊属，其产品编号为 TN6005，CAS号为 114531-28-1。Spiramine A可用作对照参考。

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