Sitakisogenin
HIT217583876
sdf文件结构编辑类似物检索
HIT ID: HIT217583876
Cas No: 53187-93-2
分子式: C30H50O4
分子量: 474.726
常用名: Sitakisogenin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3S,4aS,5S,6aS,6bR,8aR,10S,12aR,12bR,14bS)-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-3,5,10-triol
IUPAC: (3S,4aS,5S,6aS,6bR,8aR,10S,12aR,12bR,14bS)-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-3,5,10-triol
SMILES: [H][C@@]12CC(C)(C)[C@@H](O)C[C@]1(CO)[C@@H](O)C[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C
SMILES: [H][C@@]12CC(C)(C)[C@@H](O)C[C@]1(CO)[C@@H](O)C[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C
InChI key: XRTLKHZNPLDRSH-XRWCDFGBSA-N
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