(8aR,10aS)-2,3-Dihydroxy-4-Isopropyl-10alpha-Methyl-6-(4-Methyl-3-Pentenyl)-9,10-Dioxo-5,8,8a,9,10,10alpha-Hexahydro-1-Anthracenecarbaldehyde
[CAS# 64960-69-6]

Identification

• Name: (8aR,10aS)-2,3-Dihydroxy-4-Isopropyl-10alpha-Methyl-6-(4-Methyl-3-Pentenyl)-9,10-Dioxo-5,8,8a,9,10,10alpha-Hexahydro-1-Anthracenecarbaldehyde
• Synonyms: (8Ar,10As)-2,3-Dihydroxy-4-Isopropyl-10A-Methyl-6-(4-Methylpent-3-Enyl)-9,10-Dioxo-8,8A-Dihydro-5H-Anthracene-1-Carbaldehyde; (8Ar,10As)-2,3-Dihydroxy-4-Isopropyl-10A-Methyl-6-(4-Methylpent-3-Enyl)-9,10-Dioxo-8,8A-Dihydro-5H-Anthracene-1-Carboxaldehyde; (8Ar,10As)-2,3-Dihydroxy-4-Isopropyl-9,10-Diketo-10A-Methyl-6-(4-Methylpent-3-Enyl)-8,8A-Dihydro-5H-Anthracene-1-Carbaldehyde
• Molecular Formula: C₂₅H₃₀O₅
• Molecular Weight: 410.51
• CAS Registry Number: 64960-69-6
• SMILES: [C@@]23([C@H](C(=O)C1=C(C(=C(O)C(=C1C2=O)C(C)C)O)C=O)CC=C(C3)CCC=C(C)C)C
• InChI: 1S/C25H30O5/c1-13(2)7-6-8-15-9-10-17-22(28)19-16(12-26)21(27)23(29)18(14(3)4)20(19)24(30)25(17,5)11-15/h7,9,12,14,17,27,29H,6,8,10-11H2,1-5H3/t17-,25-/m0/s1
• InChIKey: YCZAHJSVHOSXPX-GKVSMKOHSA-N

Properties

• Density: 1.197g/cm³ (Cal.)
• Boiling point: 608.842°C at 760 mmHg (Cal.)
• Flash point: 336.038°C (Cal.)