Fibraurin
HIT214312022
sdf文件结构编辑类似物检索
HIT ID: HIT214312022
Cas No: 25254-84-6
分子式: C20H20O7
分子量: 372.373
常用名: Fibraurin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,3S,5R,11R,12R,13S,15S)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14,16-trioxapentacyclo[10.3.2.0^{2,11}.0^{3,8}.0^{13,15}]heptadec-8-ene-7,17-dione
IUPAC: (1R,3S,5R,11R,12R,13S,15S)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14,16-trioxapentacyclo[10.3.2.0^{2,11}.0^{3,8}.0^{13,15}]heptadec-8-ene-7,17-dione
SMILES: C[C@@]12C[C@@H](OC(=O)C1=CC[C@]1(C)C2[C@H]2OC(=O)[C@]1(O)[C@H]1O[C@@H]21)c1ccoc1 |c:8,TLB:1:12:14.15:19.21,THB:9:10:14.15:19.21,11:10:14.15:19.21,20:19:10.12:14.15|
SMILES: C[C@@]12C[C@@H](OC(=O)C1=CC[C@]1(C)C2[C@H]2OC(=O)[C@]1(O)[C@H]1O[C@@H]21)c1ccoc1 |c:8,TLB:1:12:14.15:19.21,THB:9:10:14.15:19.21,11:10:14.15:19.21,20:19:10.12:14.15|
InChI key: XUFRUKAPNGPYSR-OHLXRHPZSA-N
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