Apoarantoin
[CAS# 19885-52-0]

Identification

• Name: Apoarantoin
• Synonyms: A-21101-Iv; Antibiotic A 21101-Iv; Apoarantoin
• Molecular Formula: C₂₀H₁₈N₂O₆S₂
• Molecular Weight: 446.49
• CAS Registry Number: 19885-52-0
• SMILES: [C@H]56N4C1(SSC3(N(C1=O)[C@H]2C(=CC=C[C@@H]2O)C3)C4=O)CC5=COC=C[C@@H]6OC(=O)C
• InChI: 1S/C20H18N2O6S2/c1-10(23)28-14-5-6-27-9-12-8-20-17(25)21-15-11(3-2-4-13(15)24)7-19(21,29-30-20)18(26)22(20)16(12)14/h2-6,9,13-16,24H,7-8H2,1H3/t13-,14-,15-,16-,19?,20?/m0/s1
• InChIKey: UJHGIUXXTQBPOA-RBJZZQKESA-N

Properties

• Density: 1.707g/cm³ (Cal.)
• Boiling point: 806.394°C at 760 mmHg (Cal.)
• Flash point: 441.491°C (Cal.)