Aloe-Emodin Dianthrone Diglucoside
[CAS# 99520-79-3]

Identification

• Name: Aloe-Emodin Dianthrone Diglucoside
• Synonyms: 1-Hydroxy-10-[4-Hydroxy-2-(Hydroxymethyl)-10-Oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-9H-Anthracen-9-Yl]-3-(Hydroxymethyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-10H-Anthrac
• Molecular Formula: C₄₂H₄₂O₁₈
• Molecular Weight: 834.78
• CAS Registry Number: 99520-79-3
• SMILES: [C@H]8(OC1=CC=CC3=C1C(C2=C(C=C(C=C2O)CO)C3C5C4=C(C(=CC(=C4)CO)O)C(C6=C5C=CC=C6O[C@H]7[C@@H]([C@@H](O)[C@@H]([C@H](O7)CO)O)O)=O)=O)[C@@H]([C@@H](O)[C@@H]([C@H](O8)CO)O)O
• InChI: 1S/C42H42O18/c43-11-15-7-19-27(17-3-1-5-23(31(17)35(51)29(19)21(47)9-15)57-41-39(55)37(53)33(49)25(13-45)59-41)28-18-4-2-6-24(58-42-40(56)38(54)34(50)26(14-46)60-42)32(18)36(52)30-20(28)8-16(12-44)10-22(30)48/h1-10,25-28,33-34,37-50,53-56H,11-14H2/t25-,26
• InChIKey: SRMDEPOHSPJLPJ-ZVZSMHEHSA-N

Properties

• Density: 1.678g/cm³ (Cal.)
• Boiling point: 1115.964°C at 760 mmHg (Cal.)
• Flash point: 340.18°C (Cal.)