Abrusogenin
HIT214318885
sdf文件结构编辑类似物检索
HIT ID: HIT214318885
Cas No: 124962-07-8
分子式: C30H44O5
分子量: 484.677
常用名: Abrusogenin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,3R,6S,7S,8R,11S,12S,15R,16R)-6-hydroxy-7,12,16-trimethyl-15-[(1S)-1-[(2S)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecane-7-carboxylic acid
IUPAC: (1S,3R,6S,7S,8R,11S,12S,15R,16R)-6-hydroxy-7,12,16-trimethyl-15-[(1S)-1-[(2S)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecane-7-carboxylic acid
SMILES: [H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@]4([H])[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)[C@@]4(C)C(O)=O)[C@H](C)[C@]1([H])CC=C(C)C(=O)O1 |t:38|
SMILES: [H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@]4([H])[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)[C@@]4(C)C(O)=O)[C@H](C)[C@]1([H])CC=C(C)C(=O)O1 |t:38|
InChI key: IPIKCTWGPWLVBN-PTOBDFHPSA-N
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