Compound N066-0070
HIT211512987
sdf文件结构编辑类似物检索
HIT ID: HIT211512987
Cas No: -
分子式: C30H48O2
分子量: 440.712
常用名: Compound N066-0070
氢键受体数 (HBA): 3
氢键供体数 (HBD): 1
LogP: 6.4918
IUPAC: (5aR,5bR,11aR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carbaldehyde
IUPAC: (5aR,5bR,11aR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carbaldehyde
SMILES: CC(=C)C1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12)C=O |@:21|
SMILES: CC(=C)C1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12)C=O |@:21|
InChI key: FELCJAPFJOPHSD-LQHCPYKRSA-N
共显示3个结果
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ChemDiv
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