Stemphylin
[CAS# 22268-16-2]

Identification

• Name: Stemphylin
• Synonyms: (1S,2R,3S,4R)-1,2,3,4,8-Pentahydroxy-6-Methoxy-3-Methyl-2,4-Dihydro-1H-Anthracene-9,10-Quinone; As-A 2; 9,10-Anthracenedione, 1,2,3,4-Tetrahydro-1,2,3,4,5-Pentahydroxy-7-Methoxy-2-Methyl-, (1R-(1Alpha,2Beta,3Beta,4Alpha))-
• Molecular Formula: C₁₆H₁₆O₈
• Molecular Weight: 336.30
• CAS Registry Number: 22268-16-2 (55809-88-6)
• SMILES: [C@]3([C@@H](C2=C(C(=O)C1=C(O)C=C(C=C1C2=O)OC)[C@H](O)[C@H]3O)O)(O)C
• InChI: 1S/C16H16O8/c1-16(23)14(21)10-9(13(20)15(16)22)12(19)8-6(11(10)18)3-5(24-2)4-7(8)17/h3-4,13-15,17,20-23H,1-2H3/t13-,14+,15+,16-/m0/s1
• InChIKey: VSMBLBOUQJNJIL-JJXSEGSLSA-N

Properties

• Density: 1.701g/cm³ (Cal.)
• Boiling point: 656.883°C at 760 mmHg (Cal.)
• Flash point: 246.467°C (Cal.)

References

• (1): Arnone Alberto, Assante Gemma, Caronna Tullio, Di Modugno Vincenza, Nasini Gianluca. Comparative evaluation of photodynamic efficiency of some natural quinonoid fungal toxins, Phytochemistry, 1988