Name: Anti-inflammatory agent 80
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218847433
Cas No:2128277-55-2
常用名:Anti-inflammatory agent 80
IUPAC:(2R,3S,4R,6R)-6-{[(1R,4R,5R,8S,16S,19S,22R)-5,19-dimethyl-15,18,20-trioxahexacyclo[14.5.1.0^{1,14}.0^{4,13}.0^{5,10}.0^{19,22}]docosa-10,13-dien-8-yl]oxy}-3-{[(2S,4S,5S,6R)-4-hydroxy-5-{[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-2-methyloxan-4-ol
IUPAC:(2R,3S,4R,6R)-6-{[(1R,4R,5R,8S,16S,19S,22R)-5,19-dimethyl-15,18,20-trioxahexacyclo[14.5.1.0^{1,14}.0^{4,13}.0^{5,10}.0^{19,22}]docosa-10,13-dien-8-yl]oxy}-3-{[(2S,4S,5S,6R)-4-hydroxy-5-{[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-2-methyloxan-4-ol
InChI key:OSYJYYBZSCCTOZ-FNYJFFIESA-N

分子式:C40H60O13
分子量:748.907
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CO[C@]3(C)OC[C@@]4(CC[C@@]5([H])C(CC=C6C[C@H](CC[C@]56C)O[C@H]5C[C@@H](O)[C@H](O[C@H]6C[C@H](O)[C@H](O[C@H]7C[C@@H](OC)[C@@H](O)[C@H](C)O7)[C@@H](C)O6)[C@@H](C)O5)=C4O1)[C@]23[H]
SMILES:[H][C@]12CO[C@]3(C)OC[C@@]4(CC[C@@]5([H])C(CC=C6C[C@H](CC[C@]56C)O[C@H]5C[C@@H](O)[C@H](O[C@H]6C[C@H](O)[C@H](O[C@H]7C[C@@H](OC)[C@@H](O)[C@H](C)O7)[C@@H](C)O6)[C@@H](C)O5)=C4O1)[C@]23[H]

Anti-inflammatory agent 80, an anti-inflammatory and anti-tumor compound, can be isolated from Cynanchum limprichtii Schltr [1] [2].

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