Name: Handelin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213334289
Cas No:62687-22-3
常用名:Handelin
别名:野菊花内酯
IUPAC:(1'R,2'R,3S,3aR,4S,5'S,6R,6aR,9'R,9aR,9bR,10'R,11'R)-2',6-dihydroxy-2',6,9,11'-tetramethyl-6'-methylidene-2,7'-dioxo-3a,4,5,6,6a,7,9a,9b-octahydro-2H-8'-oxaspiro[azuleno[4,5-b]furan-3,12'-tetracyclo[9.2.2.0^{1,10}.0^{5,9}]pentadecan]-14'-en-4-yl acetate
IUPAC:(1'R,2'R,3S,3aR,4S,5'S,6R,6aR,9'R,9aR,9bR,10'R,11'R)-2',6-dihydroxy-2',6,9,11'-tetramethyl-6'-methylidene-2,7'-dioxo-3a,4,5,6,6a,7,9a,9b-octahydro-2H-8'-oxaspiro[azuleno[4,5-b]furan-3,12'-tetracyclo[9.2.2.0^{1,10}.0^{5,9}]pentadecan]-14'-en-4-yl acetate
InChI key:SZQWAXGDCUONOB-RJRCOPBWSA-N

分子式:C32H40O8
分子量:552.664
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC[C@@](C)(O)[C@]34C[C@@]5(C(=O)O[C@@]6([H])[C@@]5([H])[C@H](C[C@@](C)(O)[C@]5([H])CC=C(C)[C@]65[H])OC(C)=O)[C@](C)(C=C3)[C@@]4([H])[C@]1([H])OC(=O)C2=C |c:39,t:26|
SMILES:[H][C@@]12CC[C@@](C)(O)[C@]34C[C@@]5(C(=O)O[C@@]6([H])[C@@]5([H])[C@H](C[C@@](C)(O)[C@]5([H])CC=C(C)[C@]65[H])OC(C)=O)[C@](C)(C=C3)[C@@]4([H])[C@]1([H])OC(=O)C2=C |c:39,t:26|

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