Physagulide J
HIT217584489
sdf文件结构编辑类似物检索
HIT ID: HIT217584489
Cas No: 1496524-09-4
分子式: C30H40O7
分子量: 512.643
常用名: Physagulide J
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,2R,7S,9R,11R,12S,13S,15R,16R)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-12-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0^{2,7}.0^{7,9}.0^{12,16}]octadec-4-en-13-yl acetate
IUPAC: (1S,2R,7S,9R,11R,12S,13S,15R,16R)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-12-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0^{2,7}.0^{7,9}.0^{12,16}]octadec-4-en-13-yl acetate
SMILES: [H][C@@]12C[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(C[C@H](OC(C)=O)[C@]34O)[C@H](C)[C@@]3([H])CC(C)=C(C)C(=O)O3)[C@@]3(C)C(=O)C=CC[C@@]13O2
SMILES: [H][C@@]12C[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(C[C@H](OC(C)=O)[C@]34O)[C@H](C)[C@@]3([H])CC(C)=C(C)C(=O)O3)[C@@]3(C)C(=O)C=CC[C@@]13O2
InChI key: IKIQWRCLUGSCEA-ITBIZAQQSA-N
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