3-Acetyl-1,2,6,7-Tetrahydroxy-4a-[5-Hydroxy-5-(2-Hydroxyacetyl)-6-Methyloxan-2-Yl]Oxy-1,2,12,12a-Tetrahydrotetracen-5-One
[CAS# 30361-37-6]

Identification

• Name: 3-Acetyl-1,2,6,7-Tetrahydroxy-4a-[5-Hydroxy-5-(2-Hydroxyacetyl)-6-Methyloxan-2-Yl]Oxy-1,2,12,12a-Tetrahydrotetracen-5-One
• Synonyms: 3-Acetyl-1,2,6,7-Tetrahydroxy-4A-[5-Hydroxy-5-(2-Hydroxyacetyl)-6-Methyl-Tetrahydropyran-2-Yl]Oxy-1,2,12,12A-Tetrahydrotetracen-5-One; 3-Acetyl-1,2,6,7-Tetrahydroxy-4A-[[5-Hydroxy-5-(2-Hydroxy-1-Oxoethyl)-6-Methyl-2-Tetrahydropyranyl]Oxy]-1,2,12,12A-Tetrahydrotetracen-5-One; 3-Acetyl-4A-(5-Glycoloyl-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-1,2,6,7-Tetrahydroxy-1,2,12,12A-Tetrahydrotetracen-5-One
• Molecular Formula: C₂₈H₃₀O₁₁
• Molecular Weight: 542.54
• CAS Registry Number: 30361-37-6
• SMILES: C3=C2CC5C(OC1OC(C)C(C(=O)CO)(O)CC1)(C(C2=C(C4=C3C=CC=C4O)O)=O)C=C(C(C5O)O)C(=O)C
• InChI: 1S/C28H30O11/c1-12(30)16-10-28(39-20-6-7-27(37,13(2)38-20)19(32)11-29)17(24(34)23(16)33)9-15-8-14-4-3-5-18(31)21(14)25(35)22(15)26(28)36/h3-5,8,10,13,17,20,23-24,29,31,33-35,37H,6-7,9,11H2,1-2H3
• InChIKey: XMNPIXXDFQBHOJ-UHFFFAOYSA-N

Properties

• Density: 1.584g/cm³ (Cal.)
• Boiling point: 824.184°C at 760 mmHg (Cal.)
• Flash point: 275.196°C (Cal.)