Kuguacin N
HIT214313159
sdf文件结构编辑类似物检索
HIT ID: HIT214313159
Cas No: 1141453-73-7
分子式: C30H46O4
分子量: 470.694
常用名: Kuguacin N
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,3aS,4S,7S,9aR,9bR,11aR)-4,7-dihydroxy-3a,6,6,11a-tetramethyl-1-[(2R)-6-methyl-4-oxohept-5-en-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-9b-carbaldehyde
IUPAC: (1R,3aS,4S,7S,9aR,9bR,11aR)-4,7-dihydroxy-3a,6,6,11a-tetramethyl-1-[(2R)-6-methyl-4-oxohept-5-en-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-9b-carbaldehyde
SMILES: [#6]-[#6@H](-[#6]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6@H]1-[#6]-[#6][C@@]2([#6])[#6]3-[#6@@H](-[#8])-[#6]=[#6]4-[#6@@H](-[#6]-[#6]-[#6@H](-[#8])C4([#6])[#6])[C@@]3([#6]-[#6][C@]12[#6])[#6]=O |c:17|
SMILES: [#6]-[#6@H](-[#6]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6@H]1-[#6]-[#6][C@@]2([#6])[#6]3-[#6@@H](-[#8])-[#6]=[#6]4-[#6@@H](-[#6]-[#6]-[#6@H](-[#8])C4([#6])[#6])[C@@]3([#6]-[#6][C@]12[#6])[#6]=O |c:17|
InChI key: NHGYTKMVBMBCNA-KSJDBUOBSA-N
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