Hellebrigenin glucorhamnoside
[CAS# 28518-57-2]

Identification

• Name: Hellebrigenin glucorhamnoside
• Synonyms: (3S,5S,10S,13R,14S,17R)-3-[(2S,3S,4R,5S,6S)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-5,14-Dihydroxy-13-Methyl-17-(6-Oxopyran-3-Yl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carbaldehyde; (3S,5S,10S,13R,14S,17R)-3-[[(2S,3S,4R,5S,6S)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-5,14-Dihydroxy-13-Methyl-17-(6-Oxo-3-Pyranyl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carboxaldehyde; (3S,5S,10S,13R,14S,17R)-3-[(2S,3S,4R,5S,6S)-3,4-Dihydroxy-6-Methylol-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-5,14-Dihydroxy-17-(6-Ketopyran-3-Yl)-13-Methyl-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carbaldehyde
• Molecular Formula: C₃₆H₅₂O₁₅
• Molecular Weight: 724.80
• CAS Registry Number: 28518-57-2
• SMILES: [C@]45(C1C([C@@]2([C@](CC1)([C@H](CC2)C3=COC(C=C3)=O)C)O)CC[C@@]4(C[C@H](CC5)O[C@H]6O[C@H]([C@H]([C@@H]([C@@H]6O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C)O)O)O)CO)O)C=O
• InChI: 1S/C36H52O15/c1-17-25(40)26(41)28(43)31(48-17)51-30-23(14-37)50-32(29(44)27(30)42)49-19-5-10-34(16-38)21-6-9-33(2)20(18-3-4-24(39)47-15-18)8-12-36(33,46)22(21)7-11-35(34,45)13-19/h3-4,15-17,19-23,25-32,37,40-46H,5-14H2,1-2H3/t17-,19+,20-,21?,22?,23+,25-,26+,27-,28-,29+,30-,31+,32+,33-,34+,35+,36+/m1/s1
• InChIKey: FTYPVGIUGXFIID-JOFORUBPSA-N

Properties

• Density: 1.504g/cm³ (Cal.)
• Boiling point: 930.989°C at 760 mmHg (Cal.)
• Flash point: 288.107°C (Cal.)