Quinocarcin
[CAS 84573-33-1]

Identification

• Name: Quinocarcin
• Synonyms: Quinocarcin; 3,6-Imino-1H-2-Oxa-11C-Azanaphth(1,2,3-Cd)Azulene-5-Carboxylic Acid, 2A,3,4,5,6,6A,7,11B-Octahydro-11-Methoxy-12-Methyl-, (2A-Alpha,3-Alpha,5-Alpha,6-Alpha,6A-Alpha,11B-Alpha)-, (-)-; Antibiotic Dc 52
• Molecular Formula: C₁₈H₂₂N₂O₄
• Molecular Weight: 330.38
• CAS Registry Number: 84573-33-1
• SMILES: [C@H]24N1[C@H](OC[C@H]1C3=C(C2)C=CC=C3OC)[C@H]5N([C@@H]4[C@@H](C5)C(=O)O)C
• InChI: 1S/C18H22N2O4/c1-19-12-7-10(18(21)22)16(19)11-6-9-4-3-5-14(23-2)15(9)13-8-24-17(12)20(11)13/h3-5,10-13,16-17H,6-8H2,1-2H3,(H,21,22)/t10-,11+,12+,13+,16-,17-/m1/s1
• InChIKey: VOUMVHRRAVBACH-RXCQEBQVSA-N

Properties

• Density: 1.413g/cm³ (Cal.)
• Boiling point: 521.307°C at 760 mmHg (Cal.)
• Flash point: 269.077°C (Cal.)

References

• (1): Chiba Hiroaki, Oishi Shinya, Fujii Nobutaka, Ohno Hiroaki. Total Synthesis of (−)-Quinocarcin by Gold(I)-Catalyzed Regioselective Hydroamination, Angewandte Chemie International Edition, 2012