Name: Andrastin B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219251813
Cas No:174232-43-0
常用名:Andrastin B
IUPAC:methyl (3aR,3bS,5aS,7S,9aS,9bR,11aR)-7-(acetyloxy)-9a-(hydroxymethyl)-2,3b,6,6,11,11a-hexamethyl-1,3-dioxo-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,11aH-cyclopenta[a]phenanthrene-3a-carboxylate
IUPAC:methyl (3aR,3bS,5aS,7S,9aS,9bR,11aR)-7-(acetyloxy)-9a-(hydroxymethyl)-2,3b,6,6,11,11a-hexamethyl-1,3-dioxo-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,11aH-cyclopenta[a]phenanthrene-3a-carboxylate
InChI key:YYGKTYBUZBFNLM-GJEDHNSHSA-N

分子式:C28H40O7
分子量:488.621
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CC[C@@]3(C)[C@@]([H])(C=C(C)[C@@]4(C)C(=O)C(C)C(=O)[C@@]34C(=O)OC)[C@]1(CO)CC[C@H](OC(C)=O)C2(C)C
SMILES:[H][C@]12CC[C@@]3(C)[C@@]([H])(C=C(C)[C@@]4(C)C(=O)C(C)C(=O)[C@@]34C(=O)OC)[C@]1(CO)CC[C@H](OC(C)=O)C2(C)C

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