Daigremontianin
HIT214319317
sdf文件结构编辑类似物检索
HIT ID: HIT214319317
Cas No: 98205-50-6
分子式: C26H30O9
分子量: 486.517
常用名: Daigremontianin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,4R,5S,8R,9R,11S,12S,13R,14R,16R,18S)-5,11-dihydroxy-9,16-dimethyl-10-oxo-8-(2-oxo-2H-pyran-5-yl)-15,17,20-trioxahexacyclo[14.3.1.1^{14,18}.0^{1,13}.0^{4,12}.0^{5,9}]henicosane-13-carbaldehyde
IUPAC: (1S,4R,5S,8R,9R,11S,12S,13R,14R,16R,18S)-5,11-dihydroxy-9,16-dimethyl-10-oxo-8-(2-oxo-2H-pyran-5-yl)-15,17,20-trioxahexacyclo[14.3.1.1^{14,18}.0^{1,13}.0^{4,12}.0^{5,9}]henicosane-13-carbaldehyde
SMILES: [H][C@@]12C[C@@]3([H])O[C@@](C)(O1)O[C@@]1(CC[C@]4([H])[C@]([H])([C@H](O)C(=O)[C@]5(C)[C@H](CC[C@]45O)c4ccc(=O)oc4)[C@@]31C=O)C2
SMILES: [H][C@@]12C[C@@]3([H])O[C@@](C)(O1)O[C@@]1(CC[C@]4([H])[C@]([H])([C@H](O)C(=O)[C@]5(C)[C@H](CC[C@]45O)c4ccc(=O)oc4)[C@@]31C=O)C2
InChI key: PHOLEJIIASOWOL-XOGNUPMYSA-N
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