4'-Deoxyprovincialin
HIT101467254
sdf文件结构编辑类似物检索
HIT ID: HIT101467254
Cas No: 72057-04-6
分子式: C27H34O9
分子量: 502.56
常用名: 4'-Deoxyprovincialin
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 3.546
IUPAC: (2E)-3-{[(3aR,4R,9S,11aS)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl]oxy}-2-ethylidene-3-oxopropyl (2E)-2-(hydroxymethyl)but-2-enoate
IUPAC: (2E)-3-{[(3aR,4R,9S,11aS)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl]oxy}-2-ethylidene-3-oxopropyl (2E)-2-(hydroxymethyl)but-2-enoate
SMILES: C\C=C(/CO)C(=O)OC\C(=C/C)C(=O)O[C@@H]1C\C(C)=C\C[C@H](OC(C)=O)\C(C)=C/[C@@H]2OC(=O)C(=C)[C@H]12 |c:27,t:18|
SMILES: C\C=C(/CO)C(=O)OC\C(=C/C)C(=O)O[C@@H]1C\C(C)=C\C[C@H](OC(C)=O)\C(C)=C/[C@@H]2OC(=O)C(=C)[C@H]12 |c:27,t:18|
InChI key: GBKBPIXSSQJOPJ-XEMLLQTBSA-N
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