16R-Hydroxy-3-oxolanosta7,9(11),24-trien-21-oic acid
HIT214324117
sdf文件结构编辑类似物检索
HIT ID: HIT214324117
Cas No: 862109-64-6
分子式: C30H44O4
分子量: 468.678
常用名: 16R-Hydroxy-3-oxolanosta7,9(11),24-trien-21-oic acid
常用名: 16R-Hydroxy-3-oxolanosta7,9(11),24-trien-21-oic acid
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2R)-2-[(1R,2R,3aR,5aR,9aS,11aR)-2-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid
IUPAC: (2R)-2-[(1R,2R,3aR,5aR,9aS,11aR)-2-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid
SMILES: [H][C@]1([#6@@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O)[#6@H](-[#8])-[#6][C@@]2([#6])[#6]-3=[#6]-[#6][C@@]4([H])C([#6])([#6])[#6](=O)-[#6]-[#6][C@]4([#6])[#6]-3=[#6]-[#6][C@]12[#6] |c:33,t:17|
SMILES: [H][C@]1([#6@@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O)[#6@H](-[#8])-[#6][C@@]2([#6])[#6]-3=[#6]-[#6][C@@]4([H])C([#6])([#6])[#6](=O)-[#6]-[#6][C@]4([#6])[#6]-3=[#6]-[#6][C@]12[#6] |c:33,t:17|
InChI key: LVYOXPQJURJWPC-MVQHSHHOSA-N
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