(7S)-1,2,3-Trimethoxy-7-Methylamino-10-Methylsulfanyl-6,7-Dihydro-5H-Benzo[g]Heptalen-9-One
[CAS# 76129-11-8]

Identification

• Name: (7S)-1,2,3-Trimethoxy-7-Methylamino-10-Methylsulfanyl-6,7-Dihydro-5H-Benzo[g]Heptalen-9-One
• Synonyms: (7S)-1,2,3-Trimethoxy-7-Methylamino-10-(Methylthio)-6,7-Dihydro-5H-Benzo[G]Heptalen-9-One; Nci60_001837; Benzo[A]Heptalen-9(5H)-One, 6,7-Dihydro-1,2,3-Trimethoxy-7-(Methylamino)-10-(Methylthio)-, (S)-
• Molecular Formula: C₂₁H₂₅NO₄S
• Molecular Weight: 387.49
• CAS Registry Number: 76129-11-8
• SMILES: [C@@H]3(NC)C1=CC(=O)C(=CC=C1C2=C(C=C(OC)C(=C2OC)OC)CC3)SC
• InChI: 1S/C21H25NO4S/c1-22-15-8-6-12-10-17(24-2)20(25-3)21(26-4)19(12)13-7-9-18(27-5)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3/t15-/m0/s1
• InChIKey: RRCKMQLZGKWNPR-HNNXBMFYSA-N

Properties

• Density: 1.238g/cm³ (Cal.)
• Boiling point: 631.163°C at 760 mmHg (Cal.)
• Flash point: 335.516°C (Cal.)