Betulinaldehyde
HIT212657888
sdf文件结构编辑类似物检索
HIT ID: HIT212657888
Cas No: 13159-28-9
分子式: C30H48O2
分子量: 440.712
常用名: Betulinaldehyde
氢键受体数 (HBA): 2
氢键供体数 (HBD): 1
LogP: 6.481123
IUPAC: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carbaldehyde
IUPAC: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carbaldehyde
SMILES: CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C=O
SMILES: CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C=O
InChI key: FELCJAPFJOPHSD-ROUWMTJPSA-N
共显示2个结果
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