3β-Acetoxy-11α,12α-epoxyoleanan-28,13β-olide
HIT214317105
sdf文件结构编辑类似物检索
HIT ID: HIT214317105
Cas No: 35738-25-1
分子式: C32H48O5
分子量: 512.731
常用名: 3β-Acetoxy-11α,12α-epoxyoleanan-28,13β-olide
常用名: 3β-Acetoxy-11α,12α-epoxyoleanan-28,13β-olide
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,2S,4S,5R,6S,9S,11R,14R,15S,18S,23R)-6,10,10,14,15,21,21-heptamethyl-25-oxo-3,24-dioxaheptacyclo[16.5.2.0^{1,15}.0^{2,4}.0^{5,14}.0^{6,11}.0^{18,23}]pentacosan-9-yl acetate
IUPAC: (1S,2S,4S,5R,6S,9S,11R,14R,15S,18S,23R)-6,10,10,14,15,21,21-heptamethyl-25-oxo-3,24-dioxaheptacyclo[16.5.2.0^{1,15}.0^{2,4}.0^{5,14}.0^{6,11}.0^{18,23}]pentacosan-9-yl acetate
SMILES: [H][C@@]12O[C@]1([H])[C@]13OC(=O)[C@@]4(CCC(C)(C)C[C@@]14[H])CC[C@@]3(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@H](CC[C@]3(C)[C@@]21[H])OC(C)=O
SMILES: [H][C@@]12O[C@]1([H])[C@]13OC(=O)[C@@]4(CCC(C)(C)C[C@@]14[H])CC[C@@]3(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@H](CC[C@]3(C)[C@@]21[H])OC(C)=O
InChI key: RJEUVXAJCYTMIC-LRFNUQPTSA-N
共显示4个结果
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TargetMol
SC
3560 购物车
AnyMole
SC
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Mcule
SC
70934-5周 购物车
Mcule
SC
69254-5周 购物车
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