Name: Roselipin 1B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219599973
Cas No:232258-18-3
常用名:Roselipin 1B
IUPAC:(2R,3R,4R)-2,3,4,5-tetrahydroxypentyl (2E,6E,10E)-5,9-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-13-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}icosa-2,6,10-trienoate
IUPAC:(2R,3R,4R)-2,3,4,5-tetrahydroxypentyl (2E,6E,10E)-5,9-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-13-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}icosa-2,6,10-trienoate
InChI key:PQKVMUDGLBZIJJ-BVQPZGNTSA-N

分子式:C40H72O14
分子量:777.002
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](CO)[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](CO)[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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