S 0960
HIT219136393
sdf文件结构编辑类似物检索
HIT ID: HIT219136393
Cas No: 142974-51-4
分子式: C48H79NO8
分子量: 798.159
常用名: S 0960
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4R)-4-[(1R,3aS,3bR,4R,5aS,7S,9aS,9bS,11S,11aR)-7-[(4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]-4,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
IUPAC: (4R)-4-[(1R,3aS,3bR,4R,5aS,7S,9aS,9bS,11S,11aR)-7-[(4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]-4,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)NC(=O)CC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)NC(=O)CC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O
InChI key: GCJPHGQNZBNLBM-ZPKFPLNNSA-N
共显示1个结果
供应商规格单价货期纯度操作
TargetMol
SC
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