Name: Secaubrytriol
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214312006
Cas No:925932-10-1
常用名:Secaubrytriol
IUPAC:3-[(1S,4R,5R,8S,9S,12R,13R)-5-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-12-(3-hydroxyprop-1-en-2-yl)-4,8-dimethyltetracyclo[7.5.0.0^{1,13}.0^{4,8}]tetradecan-13-yl]propanoic acid
IUPAC:3-[(1S,4R,5R,8S,9S,12R,13R)-5-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-12-(3-hydroxyprop-1-en-2-yl)-4,8-dimethyltetracyclo[7.5.0.0^{1,13}.0^{4,8}]tetradecan-13-yl]propanoic acid
InChI key:NFSDEMPRAKPPFK-HIGWZERASA-N

分子式:C30H50O5
分子量:490.725
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(=C)CO)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C
SMILES:C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(=C)CO)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C

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