3-Hydroxylup-20(29)en-23,28-dioic acid
HIT214318863
sdf文件结构编辑类似物检索
HIT ID: HIT214318863
Cas No: 132339-62-9
分子式: C30H46O5
分子量: 486.693
常用名: 3-Hydroxylup-20(29)en-23,28-dioic acid
常用名: 3-Hydroxylup-20(29)en-23,28-dioic acid
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a,8-dicarboxylic acid
IUPAC: (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a,8-dicarboxylic acid
SMILES: [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CCC(O)C(C)(C(O)=O)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C
SMILES: [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CCC(O)C(C)(C(O)=O)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C
InChI key: NSLGONDVJPFEEN-YETQQTCNSA-N
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