3-Epi-beta-amyrin
HIT212525229
sdf文件结构编辑类似物检索
HIT ID: HIT212525229
Cas No: 6811-63-8
分子式: C30H50O
分子量: 426.729
常用名: 3-Epi-beta-amyrin
氢键受体数 (HBA): 1
氢键供体数 (HBD): 1
LogP: 7.403
IUPAC: (3R,6aR,6bS,8aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol
IUPAC: (3R,6aR,6bS,8aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol
SMILES: CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]34C)C2C1 |c:11,@:21,@@:1|
SMILES: CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]34C)C2C1 |c:11,@:21,@@:1|
InChI key: JFSHUTJDVKUMTJ-OGQDUQSFSA-N
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