Hordatine A
[CAS# 7073-64-5]

Identification

• Name: Hordatine A
• Synonyms: (2R,3R)-N-(4-Guanidinobutyl)-5-[(E)-3-(4-Guanidinobutylamino)-3-Oxo-Prop-1-Enyl]-2-(4-Hydroxyphenyl)-2,3-Dihydrobenzofuran-3-Carboxamide; (2R,3R)-N-(4-Guanidinobutyl)-5-[(E)-3-(4-Guanidinobutylamino)-3-Oxoprop-1-Enyl]-2-(4-Hydroxyphenyl)-2,3-Dihydrobenzofuran-3-Carboxamide; (2R,3R)-N-(4-Guanidinobutyl)-5-[(E)-3-(4-Guanidinobutylamino)-3-Keto-Prop-1-Enyl]-2-(4-Hydroxyphenyl)-2,3-Dihydrobenzofuran-3-Carboxamide
• Molecular Formula: C₂₈H₃₈N₈O₄
• Molecular Weight: 550.66
• CAS Registry Number: 7073-64-5
• SMILES: [C@@H]1([C@@H](OC2=C1C=C(C=C2)\C=C\C(=O)NCCCCN=C(N)N)C3=CC=C(O)C=C3)C(=O)NCCCCN=C(N)N
• InChI: 1S/C28H38N8O4/c29-27(30)35-15-3-1-13-33-23(38)12-6-18-5-11-22-21(17-18)24(25(40-22)19-7-9-20(37)10-8-19)26(39)34-14-2-4-16-36-28(31)32/h5-12,17,24-25,37H,1-4,13-16H2,(H,33,38)(H,34,39)(H4,29,30,35)(H4,31,32,36)/b12-6+/t24-,25+/m1/s1
• InChIKey: KVYNYRIOAYQBFK-ODMAYWLASA-N

Properties

• Density: 1.372g/cm³ (Cal.)