Dihydrogranaticin
[CAS# 63999-06-4]

Identification

• Name: Dihydrogranaticin
• Synonyms: 1,4-Ethanonaphtho(2,3-C:6,7-C')Dipyran-9-Acetic Acid, 1,3,4,6,7,9,10,11-Octahydro-3,7-Dimethyl-6,11-Dioxo-4,5,12,13-Tetrahydroxy-, (1R-(1-Alpha,3-Beta,4-Beta,7-Beta,9-Alpha,13R*))-; 1,4-Ethanonaphtho(2,3-C:6,7-C')Dipyran-9-Acetic Acid, 1,3,4,6,7,9,10,11-Octahydro-4,5,12,13-Tetrahydroxy-3,7-Dimethyl-6,11-Dioxo-, (1R-(1Alpha,3Beta,4Beta,7Beta,9Alpha,13R*))-; Brn 1413566
• Molecular Formula: C₂₂H₂₂O₁₀
• Molecular Weight: 446.41
• CAS Registry Number: 63999-06-4
• SMILES: C(C5OC(C4=C(C(=C3C(=O)C1=C(C2(O)C(O)CC1OC2C)C(=O)C3=C4O)O)C5)C)C(O)=O
• InChI: 1S/C22H22O10/c1-6-13-9(3-8(31-6)4-12(24)25)18(26)15-16(19(13)27)21(29)17-14(20(15)28)10-5-11(23)22(17,30)7(2)32-10/h6-8,10-11,23,26-27,30H,3-5H2,1-2H3,(H,24,25)
• InChIKey: GNTIHWMOJLHUNA-UHFFFAOYSA-N

Properties

• Density: 1.716g/cm³ (Cal.)
• Boiling point: 795.609°C at 760 mmHg (Cal.)
• Flash point: 281.479°C (Cal.)