Name: Isocolumbin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214314438
Cas No:471-54-5
常用名:Isocolumbin
别名:异古伦宾
IUPAC:(1S,2R,3R,5R,8R,11S,12S)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.0^{2,11}.0^{3,8}]hexadec-15-ene-7,13-dione
IUPAC:(1S,2R,3R,5R,8R,11S,12S)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.0^{2,11}.0^{3,8}]hexadec-15-ene-7,13-dione
InChI key:AALLCALQGXXWNA-VBFYFJBNSA-N

分子式:C20H22O6
分子量:358.39
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12OC(=O)[C@](O)(C=C1)[C@@]1(C)CC[C@@]3([H])C(=O)O[C@H](C[C@]3(C)[C@@]21[H])c1ccoc1 |c:7,TLB:20:22:2.3:7.8,THB:10:9:2.3:7.8,11:9:2.3:7.8|
SMILES:[H][C@]12OC(=O)[C@](O)(C=C1)[C@@]1(C)CC[C@@]3([H])C(=O)O[C@H](C[C@]3(C)[C@@]21[H])c1ccoc1 |c:7,TLB:20:22:2.3:7.8,THB:10:9:2.3:7.8,11:9:2.3:7.8|

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