Name: Trinactin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT101065187
Cas No:7561-71-9
常用名:Trinactin
别名:Akd-1D, Akd1D, Akd 1D
IUPAC:(1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-5,14,23-triethyl-2,11,20,29,32-pentamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.1^{7,10}.1^{16,19}.1^{25,28}]tetracontane-3,12,21,30-tetrone
IUPAC:(1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-5,14,23-triethyl-2,11,20,29,32-pentamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.1^{7,10}.1^{16,19}.1^{25,28}]tetracontane-3,12,21,30-tetrone
InChI key:DFQMKYUSAALDDY-MQEBUAKTSA-N

分子式:C43H70O12
分子量:779.021
氢键供体数 (HBD):0
氢键受体数 (HBA):8
LogP:7.003
SMILES:CC[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](CC)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1
SMILES:CC[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](CC)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1

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