Polypodine B 20,22-acetonide
HIT214316886
sdf文件结构编辑类似物检索
HIT ID: HIT214316886
Cas No: 159858-85-2
分子式: C30H48O8
分子量: 536.706
常用名: Polypodine B 20,22-acetonide
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,3aS,5aS,7R,8S,9aR,9bR,11aR)-3a,5a,7,8-tetrahydroxy-1-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
IUPAC: (1S,3aS,5aS,7R,8S,9aR,9bR,11aR)-3a,5a,7,8-tetrahydroxy-1-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
SMILES: [H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@]1(C)OC(C)(C)O[C@@H]1CCC(C)(C)O |t:6|
SMILES: [H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@]1(C)OC(C)(C)O[C@@H]1CCC(C)(C)O |t:6|
InChI key: HZCBCWUIZCCMEB-HUSZLGJPSA-N
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