486-39-5
中文名稱
衡州烏藥堿
英文名稱
coclaurine
CAS
486-39-5
分子式
C17H19NO3
分子量
285.34
MOL 文件
486-39-5.mol
更新日期
2025/03/10 17:07:17
486-39-5 結構式
基本信息
中文別名
衡州烏藥堿,烏藥堿 英文別名
Caclaurine(S)-colaurine
(S)-Coclaurine
(RS)-coclaurine
(S)-1-(4-Hydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-7-ol
[S,(+)]-1,2,3,4-Tetrahydro-1-(4-hydroxybenzyl)-6-methoxyisoquinolin-7-ol
(1S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol
7-Isoquinolinol,1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-, (1S)-
所屬類別
天然產物：生物堿物理化學性質
熔點220-221°
沸點427.77°C (rough estimate)
密度1.0864 (rough estimate)
折射率1.5400 (estimate)
溶解度Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
酸度系數(pKa)10.00±0.15(Predicted)
形態(tài)粉末
顏色White to off-white
InChIInChI=1S/C17H19NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3/t15-/m0/s1
InChIKeyLVVKXRQZSRUVPY-HNNXBMFYSA-N
SMILES[C@H]1(CC2=CC=C(O)C=C2)C2=C(C=C(OC)C(O)=C2)CCN1