466-46-6 (17-甲氧基aspidospermidine-1-甲醛,17-methoxyaspidospermidine-1-carbaldehyde)

快速询单

结构式：

17-甲氧基aspidospermidine-1-甲醛MOL文件

CAS号：

466-46-6

中文名称：

17-甲氧基aspidospermidine-1-甲醛

英文名称：

17-methoxyaspidospermidine-1-carbaldehyde

分子式：

C₂₁H₂₈N₂O₂

分子量：

340.459225654602

17-甲氧基aspidospermidine-1-甲醛(466-46-6)名称与标识符

名称

英文别名：

17-methoxyaspidospermidine-1-carbaldehyde;1-Formyl-N-deacetylaspidospermidine;Vallesine;N-FORMYL-N-DEACETYLASPIDOSPERMINE;Aspidospermidine-1-carboxaldehyde, 17-methoxy-;Q27261118;N-DEACETYL-N-FORMYLASPIDOSPERMINE;466-46-6;N-FORMYL-N-DEACETYLASPIDOSPERMINE [MI];DTXSID10196882;53OB0BOS97;UNII-53OB0BOS97;

标识符

InChIKey：

KYRQTZSLJBESSD-CWJKEVGVSA-N

Inchi：

1S/C21H28N2O2/c1-3-20-9-5-12-22-13-11-21(19(20)22)15-6-4-7-16(25-2)18(15)23(14-24)17(21)8-10-20/h4,6-7,14,17,19H,3,5,8-13H2,1-2H3/t17-,19-,20-,21-/m1/s1

SMILES：

O(C)C1=CC=CC2=C1N(C=O)[C@@H]1CC[C@@]3(CC)CCCN4CC[C@]12[C@H]43

17-甲氧基aspidospermidine-1-甲醛(466-46-6)物化性质

实验特性

折射率 : 1.622
沸点 : 500.7°C at 760 mmHg
闪点 : 256.6°C
密度 : 1.22

计算特性

精确分子量 : 340.215078140g/mol
氢键供体数量 : 0
氢键受体数量 : 3
可旋转化学键数量 : 2
同位素质量 : 340.215078140g/mol
重原子数量 : 25
复杂度 : 554
同位素原子数量 : 0
确定原子立构中心数量 : 4
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） : 3.4
拓扑分子极性表面积 : 32.8Å²

17-甲氧基aspidospermidine-1-甲醛(466-46-6)相关文献

1. The indole alkaloids excluding harmine and strychnine
J. E. Saxton Q. Rev. Chem. Soc. 1956 10 108
2. Reduction of nitro- and nitroso-compounds by tervalent phosphorus reagents. Part XII. Conversion of aryl 2-nitroaryl ethers into novel 3-aryl-2,3-dihydro-1,3,2-benzoxazaphosph(V)oles (oxazaphosphoranes) and their 2-oxo-derivatives
J. I. G. Cadogan,David S. B. Grace,Peter K. K. Lim,Brian S. Tait J. Chem. Soc. Perkin Trans. 1 1975 2376
3. 192. Studies on argentine plants. Part II. Aspidospermine from Vallesia glabra and Vallesia dichotoma
V. Deulofeu,J. De Langhe,R. Labriola,V. Carcamo J. Chem. Soc. 1940 1051
4. Chemical and structural studies on the 2,4- and 2,3-isomers of the dicarba-nido-hexaborate(1–) ion, C2B4H7 –, and some dipolar derivatives
Thomas Onak,Bill Lockman,Gerrard Haran – and some dipolar derivatives. Thomas Onak Bill Lockman Gerrard Haran J. Chem. Soc. Dalton Trans. 1973 2115
5. Organic chemistry
A. W. Johnson,H. N. Rydon,E. A. Braude,R. E. Bowman,M. V. Tracey Annu. Rep. Prog. Chem. 1949 46 114
6. Recent progress in the chemistry of the monoterpenoid indole alkaloids
J. Edwin Saxton Nat. Prod. Rep. 1996 13 327
7. Index of subjects
Annu. Rep. Prog. Chem. 1949 46 323
8. Index pages
Nat. Prod. Rep. 1996 13 I1