Granatcin-A
[CAS# 19879-06-2]

Identification

• Name: Granatcin-A
• Synonyms: Granaticin
• Molecular Formula: C₂₂H₂₀O₁₀
• Molecular Weight: 444.39
• CAS Registry Number: 19879-06-2
• SMILES: [C@@]12(O)[C@H](O)C[C@@H](O[C@@H]1C)C6=C2C(=O)C5=C(O)C4=C([C@@H]3OC(=O)C[C@@H]3OC4C)C(=C5C6=O)O
• InChI: 1S/C22H20O10/c1-5-11-15(21-8(30-5)4-10(24)32-21)19(27)13-14(17(11)25)20(28)16-12(18(13)26)7-3-9(23)22(16,29)6(2)31-7/h5-9,21,23,25,27,29H,3-4H2,1-2H3/t5?,6-,7-,8+,9-,21-,22-/m1/s1
• InChIKey: ONQCWTVJMHJRFM-NWVAQQJZSA-N

Properties

• Density: 1.773g/cm³ (Cal.)
• Boiling point: 748.324°C at 760 mmHg (Cal.)
• Flash point: 266.826°C (Cal.)