Name: Roselipin 2A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219599830
Cas No:232258-26-3
常用名:Roselipin 2A
IUPAC:(2S,3R,4S)-2,3,4,5-tetrahydroxypentyl (2E,6E,10E)-13-{[(2R,3S,4S,5S,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-5,9-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethylicosa-2,6,10-trienoate
IUPAC:(2S,3R,4S)-2,3,4,5-tetrahydroxypentyl (2E,6E,10E)-13-{[(2R,3S,4S,5S,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-5,9-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethylicosa-2,6,10-trienoate
InChI key:NCIXLNTUPVOTSJ-FQNZKPCJSA-N

分子式:C42H74O15
分子量:819.039
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC(C)CC(C)CC(C)C(O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O)C(C)\C=C(/C)C(O)C(C)\C=C(/C)C(O)C(C)\C=C(/C)C(=O)OC[C@H](O)[C@H](O)[C@@H](O)CO
SMILES:CCC(C)CC(C)CC(C)C(O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O)C(C)\C=C(/C)C(O)C(C)\C=C(/C)C(O)C(C)\C=C(/C)C(=O)OC[C@H](O)[C@H](O)[C@@H](O)CO

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