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齐墩果酸甲酯 | 1724-17-0

齐墩果酸甲酯
Methyl oleanolate
1724-17-0
C31H50O3
470.7269
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:齐墩果酸甲酯结构式
92900
齐墩果酸甲酯价格
名称和标识符
MDL MFCD00017382
InChIKey BTXWOKJOAGWCSN-JBYJGCOVSA-N
Inchi 1S/C31H50O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23+,24-,28-,29+,30+,31-/m0/s1
SMILES O([H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]([H])(C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@@]1(C([H])([H])[H])[C@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]4(C(=O)OC([H])([H])[H])C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@@]4([H])C3=C([H])C([H])([H])[C@@]12[H]
别名信息
- 中文别名 -
  • 齐墩果酸甲酯
  • 2-吡啶磺酰乙腈
  • 石竹素甲酯
- 英文别名 -
  • Methyl oleanolate
  • Oleanolic acid methyl ester
  • Methyl (3beta)-3-hydroxyolean-12-en-28-oate
  • 3-Hydroxy-(3β)-olean-12-en-28-oic acid methyl ester
  • methyl (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
  • OLEANOLIC ACID METHYL ESTER(AS)
  • (4aS,6aS,6bR,10S,12aR)-methyl 10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
  • EINECS 217-029-1
  • methyl oleanate
  • methyl oleanoate
  • Oleanolic acid methylester
  • Oleanolic acid, methyl ester
  • methyl 3-hydroxyolean-12-en-28-oate
  • (2R,5S,8R,9S,10S,13R,14S,17R)-2-bromo-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
  • (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-Methyl10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
  • (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-Methyl 10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
  • CS-14414
  • Oleanolic acid methyl ester
  • Virgaureagenin B methyl ester
  • DTXSID50938142
  • BDBM50242287
  • AKOS016036260
  • NS00047746
  • Olean-12-en-28-oic acid, 3-hydroxy-, methyl ester, (3beta)-
  • CHEMBL487412
  • 1724-17-0
  • CS-M3610
  • Olean-12-en-28-oic acid, 3-hydroxy-, methyl ester, (3b)-
  • oleanolic acid methyl ester
  • MFCD00017382
  • SCHEMBL2871108
  • OLEANOLIC ACID METHYLESTER with HPLC
  • Olean-12-en-28-oic acid, 3-hydroxy-, methyl ester, (3.beta.)-
  • A811413
物化性质
实验特性
LogP 7.32200
PSA 46.53000
熔点 200-205°C
计算特性
精确分子量 470.37600
氢键供体数量 1
氢键受体数量 3
可旋转化学键数量 2
同位素质量 470.37599545g/mol
重原子数量 34
复杂度 900
同位素原子数量 0
确定原子立构中心数量 8
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 7.8
拓扑分子极性表面积 46.5
国际标准相关数据
EINECS 217-0
相关文献
专业数据库参考
PubChemId 92900
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