Demethoxyfumitremorgin C
[CAS# 111768-16-2]

Identification

• Name: Demethoxyfumitremorgin C
• Synonyms: (5aS,12S,14aS)-12-(2-methylprop-1-en-1-yl)-1,2,3,5a,6,11,12,14a-octahydro-5H,14H-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione; (+)-Demethoxyfumitremorgin C; (5aS,12S,14aS)-12-(2-Methylprop-1-en-1-yl)-1,2,3,5a,6,14a-hexahydropyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14(11H,12H)-dione
• Molecular Formula: C₂₁H₂₃N₃O₂
• Molecular Weight: 349.43
• CAS Registry Number: 111768-16-2
• SMILES: CC(=CC1C2=C(CC3N1C(=O)C4CCCN4C3=O)C5=CC=CC=C5N2)C
• InChI: 1S/C21H23N3O2/c1-12(2)10-17-19-14(13-6-3-4-7-15(13)22-19)11-18-20(25)23-9-5-8-16(23)21(26)24(17)18/h3-4,6-7,10,16-18,22H,5,8-9,11H2,1-2H3/t16-,17-,18-/m0/s1
• InChIKey: LQXCSIKDOISJTI-BZSNNMDCSA-N

Properties

• Density: 1.33±0.1g/cm³ (Cal.)
• Melting point: 210-212°C (Expl.)
• Boiling point: 617.8±55.0°C (Cal.)
• solubility: Soluble in Methanol