Hellebrin
[CAS# 13289-18-4]

Identification

• Classification: Biochemical >> Chinese herbal medicine ingredients
• Name: Hellebrin
• Synonyms: 3-[3,4-Dihydroxy-6-Methyl-5-[3,4,5-Trihydroxy-6-(Hydroxymethyl)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; 3-[[3,4-Dihydroxy-6-Methyl-5-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)-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; 3-[3,4-Dihydroxy-6-Methyl-5-(3,4,5-Trihydroxy-6-Methylol-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: 13289-18-4
• EINECS: 236-303-1
• SMILES: C(C7C(O)C(C(C(OC6C(OC(OC2CC1(CCC3C(C1(CC2)C=O)CCC4(C3(CCC4C5=COC(C=C5)=O)O)C)O)C(C6O)O)C)O7)O)O)O
• InChI: 1S/C36H52O15/c1-17-30(51-32-28(43)26(41)25(40)23(14-37)50-32)27(42)29(44)31(48-17)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
• InChIKey: DCSLTSSPIJWEJN-UHFFFAOYSA-N

Properties

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