(3R)-2,3-Dihydro-6-Hydroxy-3-(Hydroxymethyl)-2-Methyl-10H-3alpha,10aalpha-Epidithiopyrazino[1,2-a]Indole-1,4-Dione
[CAS# 1668-07-1]

Identification

• Name: (3R)-2,3-Dihydro-6-Hydroxy-3-(Hydroxymethyl)-2-Methyl-10H-3alpha,10aalpha-Epidithiopyrazino[1,2-a]Indole-1,4-Dione
• Synonyms: Dehydrogliotoxin
• Molecular Formula: C₁₃H₁₂N₂O₄S₂
• Molecular Weight: 324.37
• CAS Registry Number: 1668-07-1
• SMILES: [C@]14(SSC2(N(C1=O)C3=C(C2)C=CC=C3O)C(=O)N4C)CO
• InChI: 1S/C13H12N2O4S2/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-20-12/h2-4,16-17H,5-6H2,1H3/t12?,13-/m1/s1
• InChIKey: BNNLUYCZQNYABS-ZGTCLIOFSA-N

Properties

• Density: 1.817g/cm³ (Cal.)
• Boiling point: 682.037°C at 760 mmHg (Cal.)
• Flash point: 366.283°C (Cal.)