(-)-Vincadifformine | 3247-10-7
(-)-Vincadifformine
3247-10-7
C21H26N2O2
338.44334
名称和标识符
InChIKey |
GIGFIWJRTMBSRP-UHFFFAOYSA-N |
Inchi |
InChI=1S/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/t19-,20-,21-/m0/s1 |
SMILES |
COC(C1CC2(CC)CCCN3CCC4(C23)C2=CC=CC=C2NC=14)=O |
别名信息
- 英文别名 -
- Aspidospermidine-3-carboxylicacid, 2,3-didehydro-, methyl ester, (5a,12R,19a)-
- 15-Bromovincadifformine
- 6,7-Dihydrotabersonine
- Aspidospermidine-3-carboxylic acid, 2,3-didehydro-, methyl ester, (5alpha,12beta,19alpha)-
- methyl (5alpha,12beta,19alpha)-2,3-didehydroaspidospermidine-3-carboxylate
- Vincadifformine
- (5alpha,12beta,19alpha)-2,3-didehydro-aspidospermidine-3-carboxylic acid methyl ester (vinadifformine)
- (5alpha,12beta,19alpha)-2,3-didehydro-aspidospermidine-3-carboxylic acid methyl ester (vinadifformine)
- CHEBI:70507
- CHEBI:70507
- Methyl 2,3-didehydroaspidospermidine-3-carboxylate
- Methyl 2,3-didehydroaspidospermidine-3-carboxylate
- EINECS 221-823-3
- EINECS 221-823-3
- NSC815333
- NSC815333
- DTXSID20954218
- DTXSID20954218
- NSC-785180
- NSC-785180
- SCHEMBL4660755
- SCHEMBL4660755
- NSC-815333
- NSC-815333
- methyl (5S,12R,19S)-2,3-didehydroaspidospermidine-3-carboxylate
- methyl (5S,12R,19S)-2,3-didehydroaspidospermidine-3-carboxylate
- 3247-10-7
- 3247-10-7
- (5alpha,12beta,19alpha)-2,3-didehydroaspidospermidine-3-carboxylic acid methyl ester
- (5alpha,12beta,19alpha)-2,3-didehydroaspidospermidine-3-carboxylic acid methyl ester
- CHEMBL251690
- CHEMBL251690
- GIGFIWJRTMBSRP-ACRUOGEOSA-N
- GIGFIWJRTMBSRP-ACRUOGEOSA-N
- NSC785180
- NSC785180
- NS00093728
- NS00093728
- (-)-Vincadifformine
- (-)-Vincadifformine
- Aspidospermidine-3-carboxylic acid, 2,3-didehydro-, methylester, (5alpha,12beta,19alpha)-
- Aspidospermidine-3-carboxylic acid, 2,3-didehydro-, methylester, (5alpha,12beta,19alpha)-
- (+/-)-Vincadifformine
- (+/-)-Vincadifformine
物化性质
实验特性
折射率 |
1.632 |
沸点 |
474.5 °C at 760 mmHg |
闪点 |
240.8 °C |
密度 |
1.24 |
计算特性
精确分子量 |
338.199 |
氢键供体数量 |
1 |
氢键受体数量 |
4 |
可旋转化学键数量 |
3 |
同位素质量 |
338.199 |
重原子数量 |
25 |
复杂度 |
629 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
3 |
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) |
3.5 |
拓扑分子极性表面积 |
41.6Ų |