FCMD
Food Contact Materials Database
1,3-Dioxolo[4,5-g]isoquinoline-5-methanol,6-(2,2-dimethyl-1-oxopropyl)-5,6,7,8-tetrahydro-alpha-[2-(hydroxymethyl)-3,4-dimethoxyphenyl]-,(r*,s*)-(+/-)-
CAS Number: 114621-94-2
IUPAC name: 1-[(5R)-5-[(S)-hydroxy-[2-(hydroxymethyl)-3,4-dimethoxyphenyl]methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl]-2,2-dimethylpropan-1-one
Molecular formula: C25H31NO7
Molecular weight: 457.5
InChI: InChI=1S/C25H31NO7/c1-25(2,3)24(29)26-9-8-14-10-19-20(33-13-32-19)11-16(14)21(26)22(28)15-6-7-18(30-4)23(31-5)17(15)12-27/h6-7,10-11,21-22,27-28H,8-9,12-13H2,1-5H3/t21-,22+/m1/s1
InChIKey: BAALLWWRVUXNNJ-YADHBBJMSA-N
SMILES: CC(C)(C)C(=O)N1CCC2=CC3=C(C=C2[C@@H]1[C@H](C4=C(C(=C(C=C4)OC)OC)CO)O)OCO3
EINECS: -
