Name: Roridin L2
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT102759839
Cas No:85124-22-7
常用名:Roridin L2
IUPAC:(1'S,2S,2'R,7'R,9'R,11'R)-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-11'-yl (2Z,4E,6R,7R)-7-hydroxy-6-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethoxy]octa-2,4-dienoate
IUPAC:(1'S,2S,2'R,7'R,9'R,11'R)-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-11'-yl (2Z,4E,6R,7R)-7-hydroxy-6-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethoxy]octa-2,4-dienoate
InChI key:JGIYRVDWRBKREW-AWETXGMISA-N

分子式:C29H38O9
分子量:530.614
氢键供体数 (HBD):2
氢键受体数 (HBA):7
LogP:1.985
SMILES:C[C@@H](O)[C@H](OCCC1=CC(=O)OC1)\C=C\C=C/C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)CC[C@]3(CO)[C@]1(C)[C@]21CO1 |t:7,26,TLB:19:20:30.24.23:35|
SMILES:C[C@@H](O)[C@H](OCCC1=CC(=O)OC1)\C=C\C=C/C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)CC[C@]3(CO)[C@]1(C)[C@]21CO1 |t:7,26,TLB:19:20:30.24.23:35|

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