Genkwadaphnin
HIT217584088
sdf文件结构编辑类似物检索
HIT ID: HIT217584088
Cas No: 55073-32-0
分子式: C34H34O10
分子量: 602.636
常用名: Genkwadaphnin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0^{1,11}.0^{2,6}.0^{8,10}.0^{12,16}]nonadec-3-en-17-yl benzoate
IUPAC: (1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0^{1,11}.0^{2,6}.0^{8,10}.0^{12,16}]nonadec-3-en-17-yl benzoate
SMILES: [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@]13O[C@@]4(O[C@]([H])([C@]21[H])[C@@](O4)([C@H](OC(=O)c1ccccc1)[C@H]3C)C(C)=C)c1ccccc1
SMILES: [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@]13O[C@@]4(O[C@]([H])([C@]21[H])[C@@](O4)([C@H](OC(=O)c1ccccc1)[C@H]3C)C(C)=C)c1ccccc1
InChI key: QKMXESBAFIKRAD-MGAVNPOISA-N
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