Name: β-Aflatrem
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317024
Cas No:144446-23-1
常用名:β-Aflatrem
别名:Aflatrem B
IUPAC:(1S,4R,5S,16S,19S,23R)-19-hydroxy-4,5,24,24-tetramethyl-11-(2-methylbut-3-en-2-yl)-25,26-dioxa-7-azaheptacyclo[21.2.1.0^{1,20}.0^{4,19}.0^{5,16}.0^{6,14}.0^{8,13}]hexacosa-6(14),8,10,12,20-pentaen-22-one
IUPAC:(1S,4R,5S,16S,19S,23R)-19-hydroxy-4,5,24,24-tetramethyl-11-(2-methylbut-3-en-2-yl)-25,26-dioxa-7-azaheptacyclo[21.2.1.0^{1,20}.0^{4,19}.0^{5,16}.0^{6,14}.0^{8,13}]hexacosa-6(14),8,10,12,20-pentaen-22-one
InChI key:ONMXSHAELZXSPO-SDPXOEJRSA-N

分子式:C32H39NO4
分子量:501.667
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12Cc3c([nH]c4ccc(cc34)C(C)(C)C=C)[C@]1(C)[C@@]1(C)CC[C@@]34O[C@@]([H])(C(=O)C=C3[C@]1(O)CC2)C(C)(C)O4 |c:32|
SMILES:[H][C@]12Cc3c([nH]c4ccc(cc34)C(C)(C)C=C)[C@]1(C)[C@@]1(C)CC[C@@]34O[C@@]([H])(C(=O)C=C3[C@]1(O)CC2)C(C)(C)O4 |c:32|

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