3,4,6a,7,12,12a-Hexahydro-4,6a,7,12-Tetrahydroxy-8-Methoxy-3-Methyl-Benz(a)Anthracen-1(2H)-One
[CAS# 85178-52-5]

Identification

• Name: 3,4,6a,7,12,12a-Hexahydro-4,6a,7,12-Tetrahydroxy-8-Methoxy-3-Methyl-Benz(a)Anthracen-1(2H)-One
• Synonyms: 3,4,6A,7,12,12A-Hexahydro-4,6A,7,12-Tetrahydroxy-8-Methoxy-3-Methylbenz(A)Anthracen-1(2H)-One; Benz(A)Anthracen-1(2H)-One, 3,4,6A,7,12,12A-Hexahydro-4,6A,7,12-Tetrahydroxy-8-Methoxy-3-Methyl-; X-14881D
• Molecular Formula: C₂₀H₂₂O₆
• Molecular Weight: 358.39
• CAS Registry Number: 85178-52-5
• SMILES: C1=CC=C(OC)C2=C1C(O)C3C(O)(C2O)C=CC4=C3C(=O)CC(C4O)C
• InChI: 1S/C20H22O6/c1-9-8-12(21)14-11(17(9)22)6-7-20(25)16(14)18(23)10-4-3-5-13(26-2)15(10)19(20)24/h3-7,9,16-19,22-25H,8H2,1-2H3
• InChIKey: XMXBNUIKCGPIAR-UHFFFAOYSA-N

Properties

• Density: 1.467g/cm³ (Cal.)
• Boiling point: 601.675°C at 760 mmHg (Cal.)
• Flash point: 217.165°C (Cal.)