(3S)-3-Methyl-8-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyloxan-2-Yl]Oxy-3,4-Dihydro-2H-Benzo[a]Anthracene-1,7,12-Trione
[CAS 137109-49-0]

Identification

• Name: (3S)-3-Methyl-8-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyloxan-2-Yl]Oxy-3,4-Dihydro-2H-Benzo[a]Anthracene-1,7,12-Trione
• Synonyms: (3S)-3-Methyl-8-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-3,4-Dihydro-2H-Benzo[A]Anthracene-1,7,12-Trione; (3S)-3-Methyl-8-[[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-3,4-Dihydro-2H-Benzo[A]Anthracene-1,7,12-Trione; (3S)-3-Methyl-8-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Oxan-2-Yl]Oxy-3,4-Dihydro-2H-Benzo[A]Anthracene-1,7,12-Trione
• Molecular Formula: C₂₅H₂₄O₈
• Molecular Weight: 452.46
• CAS Registry Number: 137109-49-0
• SMILES: [C@@H]5(CC4=CC=C3C(C1=C(C=CC=C1O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@@H](O2)C)C(C3=C4C(C5)=O)=O)=O)C
• InChI: 1S/C25H24O8/c1-10-8-12-6-7-14-19(17(12)15(26)9-10)22(29)13-4-3-5-16(18(13)21(14)28)33-25-24(31)23(30)20(27)11(2)32-25/h3-7,10-11,20,23-25,27,30-31H,8-9H2,1-2H3/t10-,11-,20-,23+,24+,25-/m0/s1
• InChIKey: MOHALZUCHLKMFC-FGEMJCSKSA-N

Properties

• Density: 1.455g/cm³ (Cal.)
• Boiling point: 743.789°C at 760 mmHg (Cal.)
• Flash point: 258.25°C (Cal.)