Compound N017-0015
HIT102252482
sdf文件结构编辑类似物检索
HIT ID: HIT102252482
Cas No:
分子式: C24H34O5
分子量: 402.531
常用名: Compound N017-0015
氢键受体数 (HBA): 8
氢键供体数 (HBD): 1
LogP: 3.9463
IUPAC: 2-{1-hydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2-oxoethyl acetate
IUPAC: 2-{1-hydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2-oxoethyl acetate
SMILES: CC1CC2C3CCC4CC(=O)CCC4(C)C3=CCC2(C)C1(O)C(=O)COC(C)=O |c:17|
SMILES: CC1CC2C3CCC4CC(=O)CCC4(C)C3=CCC2(C)C1(O)C(=O)COC(C)=O |c:17|
InChI key: HSXGGWBAANDFDP-UHFFFAOYSA-N
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