2,3-Dihydroxy-N-[1-(8-Hydroxy-1-Oxoisochroman-3-Yl)-3-Methylbutyl]-3-Pyrrolidin-2-Ylpropanamide
[CAS# 105688-00-4]

Identification

• Name: 2,3-Dihydroxy-N-[1-(8-Hydroxy-1-Oxoisochroman-3-Yl)-3-Methylbutyl]-3-Pyrrolidin-2-Ylpropanamide
• Synonyms: 2,3-Dihydroxy-N-[1-(8-Hydroxy-1-Oxo-Isochroman-3-Yl)-3-Methyl-Butyl]-3-Pyrrolidin-2-Yl-Propanamide; 2,3-Dihydroxy-N-[1-(8-Hydroxy-1-Oxo-3-Isochromanyl)-3-Methylbutyl]-3-(2-Pyrrolidinyl)Propanamide; 2,3-Dihydroxy-N-[1-(8-Hydroxy-1-Keto-Isochroman-3-Yl)-3-Methyl-Butyl]-3-Pyrrolidin-2-Yl-Propionamide
• Molecular Formula: C₂₁H₃₀N₂O₆
• Molecular Weight: 406.48
• CAS Registry Number: 105688-00-4
• SMILES: C3=CC=C2CC(C(NC(C(C(C1NCCC1)O)O)=O)CC(C)C)OC(C2=C3O)=O
• InChI: 1S/C21H30N2O6/c1-11(2)9-14(23-20(27)19(26)18(25)13-6-4-8-22-13)16-10-12-5-3-7-15(24)17(12)21(28)29-16/h3,5,7,11,13-14,16,18-19,22,24-26H,4,6,8-10H2,1-2H3,(H,23,27)
• InChIKey: GJFFPZMEAWWELD-UHFFFAOYSA-N

Properties

• Density: 1.281g/cm³ (Cal.)
• Boiling point: 741.777°C at 760 mmHg (Cal.)
• Flash point: 402.412°C (Cal.)