Celangulatin D
HIT217584189
sdf文件结构编辑类似物检索
HIT ID: HIT217584189
Cas No: 1000784-45-1
分子式: C31H36O15
分子量: 648.614
常用名: Celangulatin D
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,2S,4S,5R,6S,7R,8R,9S)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-7-(furan-3-carbonyloxy)-2,12-dihydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0^{1,6}]dodecan-8-yl furan-3-carboxylate
IUPAC: (1S,2S,4S,5R,6S,7R,8R,9S)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-7-(furan-3-carbonyloxy)-2,12-dihydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0^{1,6}]dodecan-8-yl furan-3-carboxylate
SMILES: [H][C@@]12C(O)[C@]3(OC1(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@@H](OC(=O)c1ccoc1)[C@@H]2OC(=O)c1ccoc1
SMILES: [H][C@@]12C(O)[C@]3(OC1(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@@H](OC(=O)c1ccoc1)[C@@H]2OC(=O)c1ccoc1
InChI key: HUEZXBAPUURQLA-MABMXEQBSA-N
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