11alpha,12alpha-Oxidotaraxerol palmitate
HIT214315499
sdf文件结构编辑类似物检索
HIT ID: HIT214315499
Cas No: 495389-95-2
分子式: C46H78O3
分子量: 679.127
常用名: 11alpha,12alpha-Oxidotaraxerol palmitate
常用名: 11alpha,12alpha-Oxidotaraxerol palmitate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3S,4aR,6aR,8aR,12aR,12bS,12cR,13aS,13bR,13cS)-4,4,6a,8a,11,11,12b,13c-octamethyl-1H,2H,3H,4H,4aH,5H,6H,6aH,8H,8aH,9H,10H,11H,12H,12aH,12bH,12cH,13aH,13bH,13cH-piceno[13,14-b]oxiren-3-yl hexadecanoate
IUPAC: (3S,4aR,6aR,8aR,12aR,12bS,12cR,13aS,13bR,13cS)-4,4,6a,8a,11,11,12b,13c-octamethyl-1H,2H,3H,4H,4aH,5H,6H,6aH,8H,8aH,9H,10H,11H,12H,12aH,12bH,12cH,13aH,13bH,13cH-piceno[13,14-b]oxiren-3-yl hexadecanoate
SMILES: [H][C@@]12O[C@]1([H])[C@]1(C)C(=CC[C@@]3(C)CCC(C)(C)C[C@@]13[H])[C@]1(C)CC[C@@]3([H])C(C)(C)[C@H](CC[C@]3(C)[C@@]21[H])OC(=O)CCCCCCCCCCCCCCC |c:8|
SMILES: [H][C@@]12O[C@]1([H])[C@]1(C)C(=CC[C@@]3(C)CCC(C)(C)C[C@@]13[H])[C@]1(C)CC[C@@]3([H])C(C)(C)[C@H](CC[C@]3(C)[C@@]21[H])OC(=O)CCCCCCCCCCCCCCC |c:8|
InChI key: CBFIJBKKXHURHF-PENCEYGOSA-N
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