alpha-Citromycinone
[CAS# 18175-58-1]

Identification

• Name: alpha-Citromycinone
• Synonyms: (7S,9R,10R)-9-Ethyl-4,7,9,10,11-Pentahydroxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone; 5,12-Naphthacenedione, 8-Ethyl-7,8,9,10-Tetrahydro-1,6,7,8,10-Pentahydroxy-, (7R-(7Alpha,8Beta,10Beta))-; Alpha-Citromycinone
• Molecular Formula: C₂₀H₁₈O₇
• Molecular Weight: 370.36
• CAS Registry Number: 18175-58-1
• SMILES: [C@]4([C@@H](C3=C(C1=C(C(=O)C2=C(C1=O)C=CC=C2O)C=C3[C@H](C4)O)O)O)(O)CC
• InChI: 1S/C20H18O7/c1-2-20(27)7-12(22)9-6-10-14(18(25)15(9)19(20)26)16(23)8-4-3-5-11(21)13(8)17(10)24/h3-6,12,19,21-22,25-27H,2,7H2,1H3/t12-,19+,20+/m0/s1
• InChIKey: VOXQIHPGCRCAJT-NXXCRTJYSA-N

Properties

• Density: 1.612g/cm³ (Cal.)
• Boiling point: 687.915°C at 760 mmHg (Cal.)
• Flash point: 383.807°C (Cal.)