Name: Prerubialatin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214316129
Cas No:1667718-89-9
常用名:Prerubialatin
IUPAC:methyl (1'S,2R)-12'-hydroxy-5,5-dimethyl-3',10',19'-trioxo-5H-spiro[furan-2,20'-pentacyclo[10.7.1.0^{2,11}.0^{4,9}.0^{13,18}]icosane]-2'(11'),4'(9'),5',7',13'(18'),14',16'-heptaene-1'-carboxylate
IUPAC:methyl (1'S,2R)-12'-hydroxy-5,5-dimethyl-3',10',19'-trioxo-5H-spiro[furan-2,20'-pentacyclo[10.7.1.0^{2,11}.0^{4,9}.0^{13,18}]icosane]-2'(11'),4'(9'),5',7',13'(18'),14',16'-heptaene-1'-carboxylate
InChI key:UIYJKPDDHXDUIN-JZGSEIKYSA-N

分子式:C27H20O7
分子量:456.45
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COC(=O)[C@]12C3=C(C(=O)c4ccccc4C3=O)C(O)(c3ccccc3C1=O)[C@]21OC(C)(C)C=C1 |c:37,t:5,TLB:33:27:6.5:19.24.25,THB:23:24:27:6.5,20:19:27:6.5,28:27:6.5:19.24.25|
SMILES:COC(=O)[C@]12C3=C(C(=O)c4ccccc4C3=O)C(O)(c3ccccc3C1=O)[C@]21OC(C)(C)C=C1 |c:37,t:5,TLB:33:27:6.5:19.24.25,THB:23:24:27:6.5,20:19:27:6.5,28:27:6.5:19.24.25|

Prerubialatin, a precursor of rubialatins A and B, is an organic compound exhibiting significant biological activity. [1]

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