Bacosine
HIT213884628
sdf文件结构编辑类似物检索
HIT ID: HIT213884628
Cas No: 198014-94-7
分子式: C30H48O3
分子量: 456.711
常用名: Bacosine
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,3aR,5aS,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-hydroxy-3a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-5a-carboxylic acid
IUPAC: (1R,3aR,5aS,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-hydroxy-3a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-5a-carboxylic acid
SMILES: CC(=C)[C@@H]1CC[C@]2(C)CC[C@@]3([C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
SMILES: CC(=C)[C@@H]1CC[C@]2(C)CC[C@@]3([C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
InChI key: CLOUCVRNYSHRCF-CHVGUTEKSA-N
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