Hordatine B
[CAS# 10502-21-3]

Identification

• Name: Hordatine B
• Synonyms: (2R,3R)-N-(4-Guanidinobutyl)-5-[(E)-3-(4-Guanidinobutylamino)-3-Oxo-Prop-1-Enyl]-2-(4-Hydroxyphenyl)-7-Methoxy-2,3-Dihydrobenzofuran-3-Carboxamide; (2R,3R)-N-(4-Guanidinobutyl)-5-[(E)-3-(4-Guanidinobutylamino)-3-Oxoprop-1-Enyl]-2-(4-Hydroxyphenyl)-7-Methoxy-2,3-Dihydrobenzofuran-3-Carboxamide; (2R,3R)-N-(4-Guanidinobutyl)-5-[(E)-3-(4-Guanidinobutylamino)-3-Keto-Prop-1-Enyl]-2-(4-Hydroxyphenyl)-7-Methoxy-2,3-Dihydrobenzofuran-3-Carboxamide
• Molecular Formula: C₂₉H₄₀N₈O₅
• Molecular Weight: 580.69
• CAS Registry Number: 10502-21-3
• SMILES: [C@@H]1([C@@H](OC2=C1C=C(C=C2OC)\C=C\C(=O)NCCCCN=C(N)N)C3=CC=C(O)C=C3)C(=O)NCCCCN=C(N)N
• InChI: 1S/C29H40N8O5/c1-41-22-17-18(6-11-23(39)34-12-2-4-14-36-28(30)31)16-21-24(27(40)35-13-3-5-15-37-29(32)33)25(42-26(21)22)19-7-9-20(38)10-8-19/h6-11,16-17,24-25,38H,2-5,12-15H2,1H3,(H,34,39)(H,35,40)(H4,30,31,36)(H4,32,33,37)/b11-6+/t24-,25+/m1/s1
• InChIKey: LRLXAXGCQUOKIO-ATYLQFJESA-N

Properties

• Density: 1.373g/cm³ (Cal.)