Name: Acremolactone A
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT219618806
Cas No:191163-92-5
常用名:Acremolactone A
IUPAC:(2S,3S,6S,7S,9R,10R,12R)-7-hydroxy-3-[(1S,2E)-1-hydroxy-2-methylhex-2-en-1-yl]-12-[(2S,6S)-2-hydroxy-6-methyl-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-6-methyl-5,11,13-trioxatetracyclo[7.5.0.0^{2,6}.0^{10,12}]tetradec-1(14)-en-4-one
IUPAC:(2S,3S,6S,7S,9R,10R,12R)-7-hydroxy-3-[(1S,2E)-1-hydroxy-2-methylhex-2-en-1-yl]-12-[(2S,6S)-2-hydroxy-6-methyl-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-6-methyl-5,11,13-trioxatetracyclo[7.5.0.0^{2,6}.0^{10,12}]tetradec-1(14)-en-4-one
InChI key:InChIKey=AIDBYRCMBCUHKZ-DVKMMUJKSA-N

分子式:C26H34O8
分子量:474.55
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12O[C@]1(OC=C1[C@]3([H])[C@@]([H])([C@H](O)C(\C)=C\CCC)C(=O)O[C@]3(C)[C@@H](O)C[C@@]21[H])C12O[C@@]1(C)CC=C[C@@H]2O
SMILES:[H][C@]12O[C@]1(OC=C1[C@]3([H])[C@@]([H])([C@H](O)C(\C)=C\CCC)C(=O)O[C@]3(C)[C@@H](O)C[C@@]21[H])C12O[C@@]1(C)CC=C[C@@H]2O

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