3',4'-Dehydro-4'-Deoxydothistromin
[CAS# 98063-09-3]

Identification

• Name: 3',4'-Dehydro-4'-Deoxydothistromin
• Synonyms: Anthra(2,3-B)Furo(3,2-D)Furan-5,10-Dione, 3A,12A-Dihydro-3A,4,6,9-Tetrahydroxy-, (3Ar-Cis)-; Dddtt
• Molecular Formula: C₁₈H₁₀O₈
• Molecular Weight: 354.27
• CAS Registry Number: 98063-09-3
• SMILES: [C@@]45(C3=C(C1=C(C(=O)C2=C(C1=O)C(=CC=C2O)O)C=C3O[C@H]4OC=C5)O)O
• InChI: 1S/C18H10O8/c19-7-1-2-8(20)12-11(7)14(21)6-5-9-13(16(23)10(6)15(12)22)18(24)3-4-25-17(18)26-9/h1-5,17,19-20,23-24H/t17-,18-/m1/s1
• InChIKey: XXJIETBHRWEWQE-QZTJIDSGSA-N

Properties

• Density: 1.917g/cm³ (Cal.)
• Boiling point: 725.364°C at 760 mmHg (Cal.)
• Flash point: 273.67°C (Cal.)