30-Hydroxylup-20(29)-en-3-one
HIT214315603
sdf文件结构编辑类似物检索
HIT ID: HIT214315603
Cas No: 72944-06-0
分子式: C30H48O2
分子量: 440.712
常用名: 30-Hydroxylup-20(29)-en-3-one
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-1-(3-hydroxyprop-1-en-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-icosahydro-1H-cyclopenta[a]chrysen-9-one
IUPAC: (1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-1-(3-hydroxyprop-1-en-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-icosahydro-1H-cyclopenta[a]chrysen-9-one
SMILES: [H][C@]12[C@@H](CC[C@]1(C)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=C)CO
SMILES: [H][C@]12[C@@H](CC[C@]1(C)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=C)CO
InChI key: ZUBZPUNHXGLZSQ-BHMAJAPKSA-N
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