Rubrolone
[CAS# 65445-21-8]

Identification

• Name: Rubrolone
• Synonyms: 6Ah(S)-Pyrano(2",3":5',4')Furo(2',3':5,6)Azuleno(2,3-C)Pyridine-5,13-Dione, 8,9,10,10A-Tetrahydro-3,8-Dimethyl-1-Propyl-9,10,10A,11-Tetrahydroxy- (8R,9R,10S,10Ar)-; Brn 1095666; Pigment A
• Molecular Formula: C₂₃H₂₃NO₈
• Molecular Weight: 441.44
• CAS Registry Number: 65445-21-8
• SMILES: C(C5=C4C(=C3C(=O)C2=C(C1(O)C(O)C(O)C(OC1O2)C)C(=O)C=C3C4=O)C=C(N5)C)CC
• InChI: 1S/C23H23NO8/c1-4-5-12-15-10(6-8(2)24-12)14-11(18(15)27)7-13(25)16-20(19(14)28)32-22-23(16,30)21(29)17(26)9(3)31-22/h6-7,9,17,21-22,24,26,29-30H,4-5H2,1-3H3
• InChIKey: PBLXMLFSQXRIOJ-UHFFFAOYSA-N

Properties

• Density: 1.562g/cm³ (Cal.)
• Boiling point: 716.8°C at 760 mmHg (Cal.)
• Flash point: 387.307°C (Cal.)