Name: 28-Deoxonimbolide
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315566
Cas No:126005-94-5
常用名:28-Deoxonimbolide
IUPAC:methyl 2-[(1R,2S,4R,6R,9R,10S,11R,15R,18S)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12-oxo-3,17-dioxapentacyclo[9.6.1.0^{2,9}.0^{4,8}.0^{15,18}]octadeca-7,13-dien-10-yl]acetate
IUPAC:methyl 2-[(1R,2S,4R,6R,9R,10S,11R,15R,18S)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12-oxo-3,17-dioxapentacyclo[9.6.1.0^{2,9}.0^{4,8}.0^{15,18}]octadeca-7,13-dien-10-yl]acetate
InChI key:CWGBIWRWBCYASK-LMHNVORZSA-N

分子式:C27H32O6
分子量:452.547
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@]([H])(C(C)=C1[C@@]1(C)[C@H](CC(=O)OC)[C@@]3(C)C(=O)C=C[C@@]4(C)CO[C@@]([H])([C@@]1([H])O2)[C@]34[H])c1ccoc1 |c:6,21|
SMILES:[H][C@@]12C[C@]([H])(C(C)=C1[C@@]1(C)[C@H](CC(=O)OC)[C@@]3(C)C(=O)C=C[C@@]4(C)CO[C@@]([H])([C@@]1([H])O2)[C@]34[H])c1ccoc1 |c:6,21|

28-Deoxonimbolide exhibits potent cytotoxic activity against HL60 leukemia cells.

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