N-[(7S)-1,2,3-Trimethoxy-9-Oxo-10-(Phenylmethylamino)-6,7-Dihydro-5H-Benzo[d]Heptalen-7-Yl]Acetamide
[CAS# 76129-15-2]

Identification

• Name: N-[(7S)-1,2,3-Trimethoxy-9-Oxo-10-(Phenylmethylamino)-6,7-Dihydro-5H-Benzo[d]Heptalen-7-Yl]Acetamide
• Synonyms: N-[(7S)-10-(Benzylamino)-9-Keto-1,2,3-Trimethoxy-6,7-Dihydro-5H-Benzo[D]Heptalen-7-Yl]Acetamide; N-[(7S)-1,2,3-Trimethoxy-9-Oxo-10-(Phenylmethylamino)-6,7-Dihydro-5H-Benzo[D]Heptalen-7-Yl]Ethanamide; Acetamide, N-(5,6,7,9-Tetrahydro-1,2,3-Trimethoxy-9-Oxo-10-((Phenylmethyl)Amino)Benzo(A)Heptalen-7-Yl)-, (S)-
• Molecular Formula: C₂₈H₃₀N₂O₅
• Molecular Weight: 474.56
• CAS Registry Number: 76129-15-2
• SMILES: [C@@H]3(NC(=O)C)C1=CC(=O)C(=CC=C1C2=C(C=C(OC)C(=C2OC)OC)CC3)NCC4=CC=CC=C4
• InChI: 1S/C28H30N2O5/c1-17(31)30-22-12-10-19-14-25(33-2)27(34-3)28(35-4)26(19)20-11-13-23(24(32)15-21(20)22)29-16-18-8-6-5-7-9-18/h5-9,11,13-15,22H,10,12,16H2,1-4H3,(H,29,32)(H,30,31)/t22-/m0/s1
• InChIKey: PDIUZPBNLUNFFJ-QFIPXVFZSA-N

Properties

• Density: 1.255g/cm³ (Cal.)
• Boiling point: 794.161°C at 760 mmHg (Cal.)
• Flash point: 434.093°C (Cal.)