Name: Obtusol
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212522019
Cas No:260392-01-6
常用名:Obtusol
IUPAC:(3S,6aR,6bR,8aR,11R,12S,14bR)-6b-(hydroxymethyl)-4,4,6a,8a,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol
IUPAC:(3S,6aR,6bR,8aR,11R,12S,14bR)-6b-(hydroxymethyl)-4,4,6a,8a,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol
InChI key:MJYXNLJVQSSJFM-XVNACCHWSA-N

分子式:C30H50O2
分子量:442.728
氢键供体数 (HBD):2
氢键受体数 (HBA):2
LogP:6.109
SMILES:C[C@@H]1CC[C@]2(C)CC[C@]3(CO)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C2[C@H]1C |c:11,@:21|
SMILES:C[C@@H]1CC[C@]2(C)CC[C@]3(CO)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C2[C@H]1C |c:11,@:21|

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