(1S,2S,3S)-1,8-Dihydroxy-3-Methyl-1-(3-Methylbutyl)-4-Oxo-2,3-Dihydroanthracene-2-Carboperoxoic Acid
[CAS# 93361-67-2]

Identification

• Name: (1S,2S,3S)-1,8-Dihydroxy-3-Methyl-1-(3-Methylbutyl)-4-Oxo-2,3-Dihydroanthracene-2-Carboperoxoic Acid
• Synonyms: (1S,2S,3S)-1,8-Dihydroxy-1-Isopentyl-3-Methyl-4-Oxo-2,3-Dihydroanthracene-2-Carboperoxoic Acid; (1S,2S,3S)-1,8-Dihydroxy-1-Isoamyl-4-Keto-3-Methyl-2,3-Dihydroanthracene-2-Carboperoxoic Acid; 2-Anthracenecarboxylic Acid, 1,2,3,4-Tetrahydro-1,2,8-Trihydroxy-3
• Molecular Formula: C₂₁H₂₄O₆
• Molecular Weight: 372.42
• CAS Registry Number: 93361-67-2
• SMILES: [C@@]1([C@H]([C@@H](C(C2=C1C=C3C(=C2)C=CC=C3O)=O)C)C(=O)OO)(CCC(C)C)O
• InChI: 1S/C21H24O6/c1-11(2)7-8-21(25)16-10-14-13(5-4-6-17(14)22)9-15(16)19(23)12(3)18(21)20(24)27-26/h4-6,9-12,18,22,25-26H,7-8H2,1-3H3/t12-,18+,21+/m0/s1
• InChIKey: STXVCFZKJAHSFN-VXOKYEDTSA-N

Properties

• Density: 1.299g/cm³ (Cal.)
• Boiling point: 612.284°C at 760 mmHg (Cal.)
• Flash point: 216.708°C (Cal.)