1'-Methylascorbigen
[CAS# 92557-61-4]

Identification

• Name: 1'-Methylascorbigen
• Synonyms: (3S,3Ar,6S,6As)-3,6,6A-Trihydroxy-6-[(1-Methyl-3-Indolyl)Methyl]-3,3A-Dihydro-2H-Furo[2,3-D]Furan-5-One; 1'-Methylascorbigen; Ccris 6834
• Molecular Formula: C₁₆H₁₇NO₆
• Molecular Weight: 319.31
• CAS Registry Number: 92557-61-4
• SMILES: [C@@]12(OC[C@H](O)[C@H]1OC(=O)[C@]2(O)CC3=C[N](C4=C3C=CC=C4)C)O
• InChI: 1S/C16H17NO6/c1-17-7-9(10-4-2-3-5-11(10)17)6-15(20)14(19)23-13-12(18)8-22-16(13,15)21/h2-5,7,12-13,18,20-21H,6,8H2,1H3/t12-,13+,15+,16-/m0/s1
• InChIKey: WRSYKCVZVFLXJL-XNISGKROSA-N

Properties

• Density: 1.605g/cm³ (Cal.)
• Boiling point: 617.875°C at 760 mmHg (Cal.)
• Flash point: 327.479°C (Cal.)