(±)-牛心果碱 | 1699-46-3
(±)-牛心果碱
S-Reticuline
1699-46-3
C19H23NO4
329.39022564888
名称和标识符
MDL |
MFCD01716982 |
InChIKey |
BHLYRWXGMIUIHG-HNNXBMFYSA-N |
Inchi |
InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-/m0/s1 |
SMILES |
COC1=CC=C(C[C@@H]2N(C)CCC3=CC(=C(C=C23)O)OC)C=C1O |
别名信息
- 英文别名 -
- 7-Isoquinolinol,1,2,3,4-tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-
- (+/-)-Reticuline
- (S)-RETICULINE
- 1,2,3,4-Tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol
- (RS)-Reticuline
- (1S)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
- (S)-Reticuline 7-Isoquinolinol,1,2,3,4-tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl- (Related Reference)
- (1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
- DTXSID10862010
- 1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
- ( inverted exclamation markA)-Reticuline
- CS-0113232
- AKOS030627825
- Compound NP-025371
- SCHEMBL147596
- 1699-46-3
- B2703-142898
- FT-0674366
- 1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
- 1-[(3-Hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
- FT-0674365
- FT-0699770
- Reticulin
- (R,S)-Reticuline
- HY-135489
- 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-, (S)-
- CHEBI:26533
物化性质
实验特性
熔点 |
144 ºC |
溶解度 |
微溶 (2.9 g/L) (25 ºC), |
密度 |
1.217±0.06 g/cm3 (20 ºC 760 Torr), |
计算特性
精确分子量 |
329.16270821g/mol |
氢键供体数量 |
2 |
氢键受体数量 |
5 |
可旋转化学键数量 |
4 |
同位素质量 |
329.16270821g/mol |
重原子数量 |
24 |
复杂度 |
407 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
1 |
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 |
拓扑分子极性表面积 |
62.2Ų |
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