N-[(7S)-1,2,3-Trimethoxy-9-Oxo-10-(Phenylmethylsulfanyl)-6,7-Dihydro-5H-Benzo[d]Heptalen-7-Yl]Acetamide
[CAS# 76129-12-9]

Identification

• Name: N-[(7S)-1,2,3-Trimethoxy-9-Oxo-10-(Phenylmethylsulfanyl)-6,7-Dihydro-5H-Benzo[d]Heptalen-7-Yl]Acetamide
• Synonyms: N-[(7S)-1,2,3-Trimethoxy-9-Oxo-10-(Phenylmethylthio)-6,7-Dihydro-5H-Benzo[D]Heptalen-7-Yl]Acetamide; N-[(7S)-10-(Benzylthio)-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-(Phenylmethylsulfanyl)-6,7-Dihydro-5H-Benzo[D]Heptalen-7-Yl]Ethanamide
• Molecular Formula: C₂₈H₂₉NO₅S
• Molecular Weight: 491.60
• CAS Registry Number: 76129-12-9
• SMILES: [C@H]3(C1=CC(=O)C(=CC=C1C2=C(C=C(OC)C(=C2OC)OC)CC3)SCC4=CC=CC=C4)NC(C)=O
• InChI: 1S/C28H29NO5S/c1-17(30)29-22-12-10-19-14-24(32-2)27(33-3)28(34-4)26(19)20-11-13-25(23(31)15-21(20)22)35-16-18-8-6-5-7-9-18/h5-9,11,13-15,22H,10,12,16H2,1-4H3,(H,29,30)/t22-/m0/s1
• InChIKey: GBYSTLGOMHZCPZ-QFIPXVFZSA-N

Properties

• Density: 1.279g/cm³ (Cal.)
• Boiling point: 787.619°C at 760 mmHg (Cal.)
• Flash point: 430.136°C (Cal.)