AN11251
HIT212669336
sdf文件结构编辑类似物检索
HIT ID: HIT212669336
Cas No: 2130750-59-1
分子式: C29H38BFO7
分子量: 528.42
常用名: AN11251
氢键受体数 (HBA): 6
氢键供体数 (HBD): 2
LogP: 5.5697
IUPAC: (1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxotricyclo[5.4.3.0^{1,8}]tetradecan-6-yl 2-[(7-fluoro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetate
IUPAC: (1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxotricyclo[5.4.3.0^{1,8}]tetradecan-6-yl 2-[(7-fluoro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetate
SMILES: [H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)COc1ccc2COB(O)c2c1F
SMILES: [H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)COc1ccc2COB(O)c2c1F
InChI key: WQVDRQUAJNEZSV-PTUZOVCBSA-N
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