Cascaroside A
[CAS# 53823-08-8]

Identification

• Name: Cascaroside A
• Synonyms: (10S)-1-Hydroxy-3-(Hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-10H-Anthracen-9-One; (10S)-1-Hydroxy-3-(Hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]-8-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-10H-Anthracen-9-One; (10S)-1-Hydroxy-3-Methylol-10-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-10H-Anthracen-9-One
• Molecular Formula: C₂₇H₃₂O₁₄
• Molecular Weight: 580.54
• CAS Registry Number: 53823-08-8
• SMILES: [C@@H]1(C3=C(C(C2=C1C=C(C=C2O)CO)=O)C(=CC=C3)O[C@H]4[C@@H]([C@@H](O)[C@@H]([C@H](O4)CO)O)O)[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO
• InChI: 1S/C27H32O14/c28-6-9-4-11-16(26-24(37)22(35)19(32)14(7-29)39-26)10-2-1-3-13(18(10)21(34)17(11)12(31)5-9)40-27-25(38)23(36)20(33)15(8-30)41-27/h1-5,14-16,19-20,22-33,35-38H,6-8H2/t14-,15-,16+,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
• InChIKey: MNAYRSRTNMVAPR-ZHVWOXMGSA-N

Properties

• Density: 1.695g/cm³ (Cal.)
• Boiling point: 948.063°C at 760 mmHg (Cal.)
• Flash point: 315.204°C (Cal.)