Stemphyltoxin III
[CAS# 102694-32-6]

Identification

• Name: Stemphyltoxin III
• Synonyms: Perylo(1,2-B)Oxirane-7,11-Dione, 7A,8A,8B,8C-Tetrahydro-1,6,8C-Trihydroxy-, (7Aalpha,8Aalpha,8Balpha,8Calpha)-(+)-; Perylo(1,2-B)Oxirene-7,11-Dione, 7A,8A,8B,8C-Tetrahydro-1,6,8C-Trihydroxy-, (7Ar-(7Aalpha,8Aalpha,8Bbeta,8Calpha))-; Stemphyltoxin Iii
• Molecular Formula: C₂₀H₁₂O₆
• Molecular Weight: 348.31
• CAS Registry Number: 102694-32-6
• SMILES: [C@H]35[C@@]1(O)C2=C(C(=O)C=C1)C(=CC=C2C4=C3C(=C(O)C=C4)C(=O)C6OC56)O
• InChI: 1S/C20H12O6/c21-9-4-2-8-7-1-3-10(22)14-12(7)16(18-19(26-18)17(14)24)20(25)6-5-11(23)13(9)15(8)20/h1-6,16,18-19,21-22,25H/t16-,18?,19?,20-/m0/s1
• InChIKey: OXZKROMWFXHLSV-ACAXCVFMSA-N

Properties

• Density: 1.795g/cm³ (Cal.)
• Boiling point: 700.642°C at 760 mmHg (Cal.)
• Flash point: 263.152°C (Cal.)