Name: Gambierol
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219600164
Cas No:146763-62-4
常用名:Gambierol
IUPAC:(1S,3R,5S,7R,10S,11R,13S,15R,17S,20R,22S,24R,26S,27S,29S,31R,33S,35R)-11-[(1Z,3Z)-hepta-1,3,6-trien-1-yl]-29-(3-hydroxypropyl)-3,5,10,24,26-pentamethyl-2,6,12,16,21,25,30,34-octaoxaoctacyclo[18.16.0.0^{3,17}.0^{5,15}.0^{7,13}.0^{22,35}.0^{24,33}.0^{26,31}]hexatriacont-8-ene-10,27-diol
IUPAC:(1S,3R,5S,7R,10S,11R,13S,15R,17S,20R,22S,24R,26S,27S,29S,31R,33S,35R)-11-[(1Z,3Z)-hepta-1,3,6-trien-1-yl]-29-(3-hydroxypropyl)-3,5,10,24,26-pentamethyl-2,6,12,16,21,25,30,34-octaoxaoctacyclo[18.16.0.0^{3,17}.0^{5,15}.0^{7,13}.0^{22,35}.0^{24,33}.0^{26,31}]hexatriacont-8-ene-10,27-diol
InChI key:GKLILONDTZZKRF-IDJCTBPMSA-N

分子式:C43H64O11
分子量:756.974
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@]3([H])O[C@]4(C)C[C@]5(C)O[C@]6([H])C=C[C@](C)(O)[C@H](O[C@@]6([H])C[C@@]5([H])O[C@@]4([H])CC[C@@]3([H])O[C@@]1([H])C[C@@]1(C)O[C@@]3(C)[C@@H](O)C[C@H](CCCO)O[C@]3([H])C[C@]1([H])O2)\C=C/C=C\CC=C
SMILES:[H][C@@]12C[C@]3([H])O[C@]4(C)C[C@]5(C)O[C@]6([H])C=C[C@](C)(O)[C@H](O[C@@]6([H])C[C@@]5([H])O[C@@]4([H])CC[C@@]3([H])O[C@@]1([H])C[C@@]1(C)O[C@@]3(C)[C@@H](O)C[C@H](CCCO)O[C@]3([H])C[C@]1([H])O2)\C=C/C=C\CC=C

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