Compound N066-0061
HIT211512983
sdf文件结构编辑类似物检索
HIT ID: HIT211512983
Cas No: -
分子式: C32H50O4
分子量: 498.748
常用名: Compound N066-0061
氢键受体数 (HBA): 6
氢键供体数 (HBD): 0
LogP: 6.6031
IUPAC: [(5aR,5bR,11aR)-9-(formyloxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-3a-yl]methyl formate
IUPAC: [(5aR,5bR,11aR)-9-(formyloxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-3a-yl]methyl formate
SMILES: CC(=C)C1CCC2(COC=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC=O)C(C)(C)C5CC[C@@]34C)C12 |@:27|
SMILES: CC(=C)C1CCC2(COC=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC=O)C(C)(C)C5CC[C@@]34C)C12 |@:27|
InChI key: BCJRMIAGIXJFNK-BCCLYDGLSA-N
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