Name: Compound N039-0029
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT211512909
Cas No:-
常用名:Compound N039-0029
IUPAC:(2R,7'S,18'R,20'S)-20'-bromo-18'-hydroxy-5,7',9',13'-tetramethyl-19'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-16'-yl acetate
IUPAC:(2R,7'S,18'R,20'S)-20'-bromo-18'-hydroxy-5,7',9',13'-tetramethyl-19'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-16'-yl acetate
InChI key:NZMXPNPAWOZZDY-JUOAJREBSA-N

分子式:C29H43BrO6
分子量:567.561
氢键供体数 (HBD):1
氢键受体数 (HBA):8
LogP:4.8773
SMILES:C[C@H]1C2C(CC3C4[C@H](Br)C(=O)[C@@]5(O)CC(CCC5(C)C4CCC23C)OC(C)=O)O[C@]11CCC(C)CO1
SMILES:C[C@H]1C2C(CC3C4[C@H](Br)C(=O)[C@@]5(O)CC(CCC5(C)C4CCC23C)OC(C)=O)O[C@]11CCC(C)CO1

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