Name: Bryostatin 3
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212708642
Cas No:143370-84-7
常用名:Bryostatin 3
IUPAC:(1S,3Z,5R,7Z,9S,11S,13S,15R,17R,21R,23R,24S,29S)-13-(acetyloxy)-1,11,17-trihydroxy-21-[(1R)-1-hydroxyethyl]-7-(2-methoxy-2-oxoethylidene)-2,2,12,12-tetramethyl-19,26-dioxo-20,25,30,31,32-pentaoxapentacyclo[21.6.1.1^{5,9}.1^{11,15}.0^{24,28}]dotriaconta-3,27-dien-29-yl (2E,4E)-octa-2,4-dienoate
IUPAC:(1S,3Z,5R,7Z,9S,11S,13S,15R,17R,21R,23R,24S,29S)-13-(acetyloxy)-1,11,17-trihydroxy-21-[(1R)-1-hydroxyethyl]-7-(2-methoxy-2-oxoethylidene)-2,2,12,12-tetramethyl-19,26-dioxo-20,25,30,31,32-pentaoxapentacyclo[21.6.1.1^{5,9}.1^{11,15}.0^{24,28}]dotriaconta-3,27-dien-29-yl (2E,4E)-octa-2,4-dienoate
InChI key:BSNHYLUEHJOXFN-HBUIWOJHSA-N

分子式:C46H64O17
分子量:889.001
氢键供体数 (HBD):4
氢键受体数 (HBA):12
LogP:4.639571
SMILES:CCC\C=C\C=C\C(=O)O[C@H]1C2=CC(=O)O[C@@H]2[C@H]2C[C@@H](OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]4C\C(C[C@@H](O4)\C=C/C(C)(C)[C@]1(O)O2)=C\C(=O)OC)O3)[C@@H](C)O |c:48,t:11|
SMILES:CCC\C=C\C=C\C(=O)O[C@H]1C2=CC(=O)O[C@@H]2[C@H]2C[C@@H](OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]4C\C(C[C@@H](O4)\C=C/C(C)(C)[C@]1(O)O2)=C\C(=O)OC)O3)[C@@H](C)O |c:48,t:11|

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