Symphytine
[CAS# 22571-95-5]

Identification

• Name: Symphytine
• Synonyms: [(7S,8R)-7-[(E)-2-Methylbut-2-Enoyl]Oxy-5,6,7,8-Tetrahydro-3H-Pyrrolizin-1-Yl]Methyl 2-Hydroxy-2-(1-Hydroxyethyl)-3-Methyl-Butanoate; 2-Hydroxy-2-(1-Hydroxyethyl)-3-Methylbutanoic Acid [(7S,8R)-7-[(E)-2-Methyl-1-Oxobut-2-Enoxy]-5,6,7,8-Tetrahydro-3H-Pyrrolizin-1-Yl]Methyl Ester; (E)-2-Methylbut-2-Enoic Acid [(1S,8R)-7-[[2-Hydroxy-2-(1-Hydroxyethyl)-3-Methyl-Butanoyl]Oxymethyl]-2,3,5,8-Tetrahydro-1H-Pyrrolizin-1-Yl] Ester
• Molecular Formula: C₂₀H₃₁NO₆
• Molecular Weight: 381.47
• CAS Registry Number: 22571-95-5
• SMILES: [C@@H]12N(CC=C1COC(=O)C(O)(C(O)C)C(C)C)CC[C@@H]2OC(=O)C(=C/C)/C
• InChI: 1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14?,16-,17+,20?/m0/s1
• InChIKey: MVWPTZQHBOWRTF-VJNCLFHASA-N