Name: Compound N037-0029
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT211716344
Cas No:-
常用名:Compound N037-0029
IUPAC:(1S,4S,5R,6S,8S,9S,10R,13S,16S)-11-ethyl-8,16-dihydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-yl acetate
IUPAC:(1S,4S,5R,6S,8S,9S,10R,13S,16S)-11-ethyl-8,16-dihydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-yl acetate
InChI key:ZEBMMHUDQRRILP-YDAJSIEESA-N

分子式:C25H39NO6
分子量:449.588
氢键供体数 (HBD):2
氢键受体数 (HBA):8
LogP:1.2206
SMILES:CCN1C[C@]2(COC)CC[C@H](O)[C@@]34C5C[C@H]6[C@H](OC(C)=O)C5[C@](O)(C[C@@H]6OC)[C@@H](CC23)[C@@H]14 |TLB:28:22:16:13.14,1:2:30:10.8.9,26:25:16:13.14,THB:28:31:30:10.8.9,2:31:22.21.13:30.29,23:22:16:13.14|
SMILES:CCN1C[C@]2(COC)CC[C@H](O)[C@@]34C5C[C@H]6[C@H](OC(C)=O)C5[C@](O)(C[C@@H]6OC)[C@@H](CC23)[C@@H]14 |TLB:28:22:16:13.14,1:2:30:10.8.9,26:25:16:13.14,THB:28:31:30:10.8.9,2:31:22.21.13:30.29,23:22:16:13.14|

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