6-[(3,4-Dihydroxyphenyl)Methyl]-9,10-Dihydroxy-5-(4-Hydroxy-2-Methoxyphenyl)-1,3-Dimethoxybenzo[a]Xanthen-2-One
[CAS# 38185-48-7]

Identification

• Name: 6-[(3,4-Dihydroxyphenyl)Methyl]-9,10-Dihydroxy-5-(4-Hydroxy-2-Methoxyphenyl)-1,3-Dimethoxybenzo[a]Xanthen-2-One
• Synonyms: 6-[(3,4-Dihydroxyphenyl)Methyl]-9,10-Dihydroxy-5-(4-Hydroxy-2-Methoxy-Phenyl)-1,3-Dimethoxy-Benzo[A]Xanthen-2-One; 6-[(3,4-Dihydroxyphenyl)Methyl]-9,10-Dihydroxy-5-(4-Hydroxy-2-Methoxyphenyl)-1,3-Dimethoxy-2-Benzo[A]Xanthenone; 6-(3,4-Dihydroxybenzyl)-9,10-Dihydroxy-5-(4-Hydroxy-2-Methoxy-Phenyl)-1,3-Dimethoxy-Benzo[A]Xanthen-2-One
• Molecular Formula: C₃₃H₂₆O₁₀
• Molecular Weight: 582.56
• CAS Registry Number: 38185-48-7
• EINECS: 253-817-1
• SMILES: C1=CC(=CC(=C1C5=C2C(=C(OC)C(=O)C(=C2)OC)C4=CC3=CC(=C(O)C=C3OC4=C5CC6=CC(=C(O)C=C6)O)O)OC)O
• InChI: 1S/C33H26O10/c1-40-27-12-17(34)5-6-18(27)29-19-13-28(41-2)31(39)33(42-3)30(19)21-10-16-11-24(37)25(38)14-26(16)43-32(21)20(29)8-15-4-7-22(35)23(36)9-15/h4-7,9-14,34-38H,8H2,1-3H3
• InChIKey: WPNYFKJDYXQIGA-UHFFFAOYSA-N

Properties

• Density: 1.593g/cm³ (Cal.)
• Boiling point: 1057.423°C at 760 mmHg (Cal.)
• Flash point: 347.87°C (Cal.)

References

• (1): Arnone Alberto, Camarda Lorenzo, Merlini Lucio, Nasini Gianluca. Structures of the red sandalwood pigments santalins A and B, Journal of the Chemical Society, Perkin Transactions 1, 1975