Cucurbitacin IIA
HIT212664482
sdf文件结构编辑类似物检索
HIT ID: HIT212664482
Cas No: 58546-34-2
分子式: C32H50O8
分子量: 562.744
常用名: Cucurbitacin IIA
氢键受体数 (HBA): 7
氢键供体数 (HBD): 4
LogP: 2.2119887
IUPAC: (6R)-6-[(1R,2R,3aS,3bS,7S,8S,9aR,9bR,11aR)-2,7,8-trihydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-5-oxoheptan-2-yl acetate
IUPAC: (6R)-6-[(1R,2R,3aS,3bS,7S,8S,9aR,9bR,11aR)-2,7,8-trihydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-5-oxoheptan-2-yl acetate
SMILES: CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C |c:22|
SMILES: CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C |c:22|
InChI key: LKYNAQSYQLFTCM-GYXNDICUSA-N
共显示2个结果
供应商规格单价货期纯度操作
TargetMol
SC
2161-3天 购物车
Mcule
SC
5284-5周 购物车
TargetMol | Target Loading
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