Name: Aquifoliunine E-III
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214312919
Cas No:220751-20-2
常用名:Aquifoliunine E-III
IUPAC:[(1S,3R,13S,14R,17S,18R,19R,20R,21S,22R,24R,25S)-18,19,21,24-tetrakis(acetyloxy)-22,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0^{1,20}.0^{3,23}.0^{7,12}]pentacosa-7,9,11-trien-20-yl]methyl acetate
IUPAC:[(1S,3R,13S,14R,17S,18R,19R,20R,21S,22R,24R,25S)-18,19,21,24-tetrakis(acetyloxy)-22,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0^{1,20}.0^{3,23}.0^{7,12}]pentacosa-7,9,11-trien-20-yl]methyl acetate
InChI key:NLOQRURWORDOGK-ZMVRZSLISA-N

分子式:C36H45NO17
分子量:763.746
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H]1[C@@H](C)C(=O)O[C@H]2[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@H](OC(C)=O)[C@H](O)C4[C@@H](OC(C)=O)[C@]3(O[C@@]4(C)COC(=O)c3cccnc13)[C@@]2(C)O |TLB:41:39:18.24.29:32,THB:40:39:18.24.29:32|
SMILES:C[C@H]1[C@@H](C)C(=O)O[C@H]2[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@H](OC(C)=O)[C@H](O)C4[C@@H](OC(C)=O)[C@]3(O[C@@]4(C)COC(=O)c3cccnc13)[C@@]2(C)O |TLB:41:39:18.24.29:32,THB:40:39:18.24.29:32|

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