1-Hydroxy-2-(Hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxymethyl]Oxan-2-Yl]Oxyanthracene-9,10-Dione
[CAS# 37393-11-6]

Identification

• Name: 1-Hydroxy-2-(Hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxymethyl]Oxan-2-Yl]Oxyanthracene-9,10-Dione
• Synonyms: 1-Hydroxy-2-(Hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-Anthracene-9,10-Dione; 1-Hydroxy-2-(Hydroxymethyl)-3-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxymethyl]-2-Tetrahydropyranyl]Oxy]Anthracene-9,10-Dione; 1-Hydroxy-2-Methylol-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-9,10-Anthraquinone
• Molecular Formula: C₂₆H₂₈O₁₄
• Molecular Weight: 564.50
• CAS Registry Number: 37393-11-6
• SMILES: [C@@H]4(OC1=C(C(=C3C(=C1)C(C2=C(C=CC=C2)C3=O)=O)O)CO)[C@H](O)[C@@H](O)[C@H](O)[C@H](O4)CO[C@H]5[C@H](O)[C@@H](O)[C@H](O)CO5
• InChI: 1S/C26H28O14/c27-6-12-14(5-11-16(19(12)31)18(30)10-4-2-1-3-9(10)17(11)29)39-26-24(36)22(34)21(33)15(40-26)8-38-25-23(35)20(32)13(28)7-37-25/h1-5,13,15,20-28,31-36H,6-8H2/t13-,15-,20+,21-,22+,23-,24-,25+,26+/m1/s1
• InChIKey: NVKNRXOMCYTFJF-MFGUGJPBSA-N

Properties

• Density: 1.759g/cm³ (Cal.)
• Boiling point: 942.514°C at 760 mmHg (Cal.)
• Flash point: 316.812°C (Cal.)