3-hydroxy-1-(7-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,5H,5aH,8H,9H,11H-cyclopenta[a]phenanthren-7-one, 15,26-Dihydroxylanosta-7,9(11),24-trien-3-one
HIT218832798
sdf文件结构编辑类似物检索
HIT ID: HIT218832798
Cas No:
分子式: C30H46O3
分子量: 454.695
常用名: 3-hydroxy-1-(7-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,5H,5aH,8H,9H,11H-cyclopenta[a]phenanthren-7-one, 15,26-Dihydroxylanosta-7,9(11),24-trien-3-one
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-hydroxy-1-(7-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-7-one
SMILES: CC(CCC=C(C)CO)C1CC(O)C2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C
InChI key: PBRWVXAYDRQRGX-UHFFFAOYSA-N
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