1-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyloxan-2-Yl]Oxyoxan-2-Yl]Oxy-6,8-Dihydroxy-3-Methylanthracene-9,10-Dione
[CAS# 137162-02-8]

Identification

• Name: 1-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyloxan-2-Yl]Oxyoxan-2-Yl]Oxy-6,8-Dihydroxy-3-Methylanthracene-9,10-Dione
• Synonyms: 1-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-6,8-Dihydroxy-3-Methyl-Anthracene-9,10-Dione; 1-[[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-6,8-Dihydroxy-3-Methylanthracene-9,10-Dione; 1-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-Methylol-3-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-6,8-Dihydroxy-3-Methyl-9,10-Anthraquinone
• Molecular Formula: C₂₇H₃₀O₁₄
• Molecular Weight: 578.53
• CAS Registry Number: 137162-02-8
• SMILES: [C@@H]1([C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)OC2=CC(=CC4=C2C(C3=C(C=C(C=C3O)O)C4=O)=O)C)O[C@H]5[C@@H]([C@H](O)[C@H]([C@@H](O5)C)O)O
• InChI: 1S/C27H30O14/c1-8-3-11-17(21(34)16-12(19(11)32)5-10(29)6-13(16)30)14(4-8)39-27-25(23(36)20(33)15(7-28)40-27)41-26-24(37)22(35)18(31)9(2)38-26/h3-6,9,15,18,20,22-31,33,35-37H,7H2,1-2H3/t9-,15+,18-,20+,22+,23-,24+,25+,26-,27+/m0/s1
• InChIKey: PWVDAXDKFKBTFL-QWVHOXPHSA-N

Properties

• Density: 1.716g/cm³ (Cal.)
• Boiling point: 959.751°C at 760 mmHg (Cal.)
• Flash point: 319.88°C (Cal.)