Englerin A
HIT214322232
sdf文件结构编辑类似物检索
HIT ID: HIT214322232
Cas No: 1094250-15-3
分子式: C26H34O6
分子量: 442.552
常用名: Englerin A
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 5.428
IUPAC: (1S,2R,5R,6R,7S,8R,10R)-10-[(2-hydroxyacetyl)oxy]-1,5-dimethyl-8-(propan-2-yl)-11-oxatricyclo[6.2.1.0^{2,6}]undecan-7-yl (2E)-3-phenylprop-2-enoate
IUPAC: (1S,2R,5R,6R,7S,8R,10R)-10-[(2-hydroxyacetyl)oxy]-1,5-dimethyl-8-(propan-2-yl)-11-oxatricyclo[6.2.1.0^{2,6}]undecan-7-yl (2E)-3-phenylprop-2-enoate
SMILES: [H][C@@]12CC[C@@H](C)[C@@]1([H])[C@H](OC(=O)\C=C\c1ccccc1)[C@@]1(C[C@@H](OC(=O)CO)[C@@]2(C)O1)C(C)C |TLB:9:8:30:22.21,23:22:8.6.1:30,THB:2:1:30:22.21|
SMILES: [H][C@@]12CC[C@@H](C)[C@@]1([H])[C@H](OC(=O)\C=C\c1ccccc1)[C@@]1(C[C@@H](OC(=O)CO)[C@@]2(C)O1)C(C)C |TLB:9:8:30:22.21,23:22:8.6.1:30,THB:2:1:30:22.21|
InChI key: GACOFEKSDCOVMV-RRYXBOBMSA-N
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Enamine
SC
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