(5aalpha,5balpha,9aalpha,9balpha)-5a,9,9a,9b-tetrahydro-3-methyl-5H-Furo(2'',3'':7',8')(1)benzopyrano(3',4':3,4)cyclobuta(1,2-d)pyrimidine-5,6,8(5bH,7H)-trione
[CAS# 118122-53-5]

Identification

• Name: (5aalpha,5balpha,9aalpha,9balpha)-5a,9,9a,9b-tetrahydro-3-methyl-5H-Furo(2'',3'':7',8')(1)benzopyrano(3',4':3,4)cyclobuta(1,2-d)pyrimidine-5,6,8(5bH,7H)-trione
• Synonyms: 4'-Methylangelicin-Thymine-3,4-Photocylcloadduct; 5H-Furo(2'',3'':7',8')(1)Benzopyrano(3',4':3,4)Cyclobuta(1,2-D)Pyrimidine-5,6,8(5Bh,7H)-Trione, 5A,9,9A,9B-Tetrahydro-3-Methyl-, (5Aalpha,5Balpha,9Aalpha,9Balpha)-
• Molecular Formula: C₁₇H₁₄N₂O₅
• Molecular Weight: 326.31
• CAS Registry Number: 118122-53-5
• SMILES: C4=C3C2C1NC(NC(C1(C2C(OC3=C5C(=C4)OC=C5C)=O)C)=O)=O
• InChI: 1S/C17H14N2O5/c1-6-5-23-8-4-3-7-10-11(14(20)24-12(7)9(6)8)17(2)13(10)18-16(22)19-15(17)21/h3-5,10-11,13H,1-2H3,(H2,18,19,21,22)
• InChIKey: OSHACCFKKXSZHP-UHFFFAOYSA-N

Properties

• Density: 1.448g/cm³ (Cal.)