Name: 6-O-Acetylcoriatin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315642
Cas No:1432063-63-2
常用名:6-O-Acetylcoriatin
IUPAC:(1'S,2R,2'R,3'S,5'R,7'R,9'R,12'S)-12'-(2-hydroxypropan-2-yl)-7'-methyl-11'-oxo-4',10'-dioxaspiro[oxirane-2,6'-tetracyclo[7.2.1.0^{2,7}.0^{3,5}]dodecan]-2'-yl acetate
IUPAC:(1'S,2R,2'R,3'S,5'R,7'R,9'R,12'S)-12'-(2-hydroxypropan-2-yl)-7'-methyl-11'-oxo-4',10'-dioxaspiro[oxirane-2,6'-tetracyclo[7.2.1.0^{2,7}.0^{3,5}]dodecan]-2'-yl acetate
InChI key:RCDCUCSJAPPGHK-ZCYZFREISA-N

分子式:C17H22O7
分子量:338.356
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12O[C@]1([H])[C@@]1(OC(C)=O)[C@@H]3[C@@H]([C@@H](C[C@@]1(C)[C@@]21CO1)OC3=O)C(C)(C)O |TLB:6:5:11:20.19,3:5:11:20.19,THB:15:14:11:20.19|
SMILES:[H][C@@]12O[C@]1([H])[C@@]1(OC(C)=O)[C@@H]3[C@@H]([C@@H](C[C@@]1(C)[C@@]21CO1)OC3=O)C(C)(C)O |TLB:6:5:11:20.19,3:5:11:20.19,THB:15:14:11:20.19|

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